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Excel Custom Functions
What are Dynochem Excel custom functions?

Dynochem Excel custom functions retrieve properties data from the materials system or perform calculations directly in worksheet cells and are available when Excel is open.  The following functions are available:

DC_GetProperty function

The DC_GetProperty function allows you to search for temperature independent properties (static properties) such as a solvent's critical temperature, triple point temperature or normal boiling point.

 

Syntax

• DC_ GetProperty(“material”, “property code”)

 

Argument name Description
Material (required) The material whose property that you want
Property (required) The property that you want

 

Example:

Finding the melting point for EtOH, EtOAc, DMF and DMSO.

       

 

 List of Property codes

Property code Property Property code Property
Antoines Antoines FLVL Lower Flammability Limit %
UNIFAC VLE Text showing UNIFAC VLE fragmentation FLTL Lower Flammability Limit Temperature
UNIFAC LLE Text showing UNIFAC LLE fragmentation FLVU Upper Flammability Limit %
UNIFAC Modified Text showing UNIFAC modified fragmentation FLTU Upper Flammability Limit Temperature
CAS CAS Registry Number AIT Auto Ignition Temperature
MW Molar mass HSUB Heat of Sublimation
MI_MASS Monoisotopic mass ACEN Acentric Factor
LINEAR_FORMULA Linear formula RG Radius of Gyration
FORMATTED_LINEAR_FORMULA Formatted linear formula SOLP Solubility Parameter
HILL_FORMULA Hill formula DM Diplole Moment
FORMATTER_HILL_FORMULA Formatted Hill formula VDWV van der Waals Reduced Volume
SMILES SMILES representation VDWA van der Waals Reduced Area
InChI IUPAC international chemical identifier RI Refracrtive Index
InChIKEY Hashed version of the full standard InChI PAR Parachor
FAMILY Solvent family DC Dielectric constant
RVALUE Relative Van der Waals volume, R Hilde Hildebrand solubility parameter
QVALUE Relative Van der Waals surface area, Q HAND Hansen dispersion forces
MP Melting Point at 1atm HANP Hansen polar forces
NBP Normal Boiling Point HANH Hansen hydrogen bonds
TPT Triple Point Temperature ICH_CLASS ICH Residual Solvent Class
TPP Triple Point Pressure SOLVENT_TYPE Solvent Type including ACS Class
TC Critical Temperature  ACS_SAFETY ACS Greenness Safety
PC Critical Pressure ACS_HEALTH ACS Greenness Health
VC Critical Volume ACS_ENV_AIR ACS Greenness Env (Air)
ZC Critical Compressibility Factor ACS_ENV_WATER ACS Greenness Env (Water)
LVOL Liquid Molar Volume at 298.15 K ACS_ENV_WASTE ACS Greenness Env (Waste)
HFOR Enthalpy of Formation for Ideal Gas GSK_CLASS GSK Guide 2009 Solvent Class
GFOR Gibbs Energy of Formation for Ideal Gas GSK_FLAMM GSK Guide 2009 Flammability & Explosion
ENT Absolute Entropy of Ideal Gas GSK_REACT GSK Guide 2009 Reactivity/Stability
HSTD Standard State Enthalpy of Formation GSK_HEALTH GSK Guide 2009 Health
GSTD Standard State Gibbs Energy of Formation GSK_WASTE GSK Guide 2009 Waste
SSTD Standard State Absolute Entropy GSK_ENV_IMP GSK Guide 2009 Environmental impact
HFUS Enthalpy of Fusion at Melting point GSK_LIFECYC GSK Guide 2009 Life Cycle Score
HCOM Net Standard Enthalpy of Combustion GSK_LEGAL_FLAG GSK Guide 2009 Legislation Flag
FP Flash Point GSK_EHS_FLAG GSK Guide 2009 EHS Red Flag
                               
DC_GetTDepProperty function

The DC_GetTDepProperty allows you to search for temperature dependent properties for materials such as liquid density and liquid viscosity. In its simplest form it says:

The resulting output for a DC_GetTDepProperty is the numerical value for that solvent property at that temperature.

 

Syntax

• DC_GetTDepProperty(“material”, “property code”, temperature

 

Argument name Description
Material (required) The material whose property you want
Property (required) The material that you want
Temperature (required) The temperature for the property

               

Example

Find the liquid density of EtOH at 25 C up to 50 C, in increments of 5 C.

 

 

List of Property codes 

                
Solvent Property Code Solvent Property Units
LDN Liquid Density kg/m3
LCP Liquid Specific Heat Capacity kJ/kg.K
LVS Liquid Viscosity mPa.s
LTC Liquid Thermal Conductivity W/m.K
LVP Vapor Pressure of the Liquid bar
HVP Heat of Vaporization kJ/mol
SDN Solid Density kg/m3
SCP Solid Specific Heat Capacity kJ/kg.K
STC Solid Thermal Conductivity W/m.K
VTC Vapor Thermal Conductivity W/m.K
SVP Vapor Pressure of Solid bar
ICP Ideal Gas Specific Heat Capacity kJ/kg.K
SVR Second Virial Coefficient m3/kmol
VVS Vapor Viscosity mPa.s
SUT Surface Tension N/m
               
DC_GetH2Henry

The DC_GetH2Henry allows you to search for the Henry constant in (mol/m3)/(mol/m3). In its simplest form, it says:

• DC_GetH2Henry("solvent name", temperature)

The resulting output for a DC_GetH2Henry is the numerical value for that solvent property at that particular temperature.

 

Syntax

• DC_GetH2Henry(“solvent”, temperature)

       
Argument name Description
Solvent (required) The solvent whose property you want
Temperature (required) The temperature for the property

 

Example:

Find the Henry constant for MeOH at 30 degrees.

 

                               
DC_SourceBIPs

 The DC_SourceBIPS allows you to check the source of the binary interaction parameters (BIPs). 

 

Syntax

• DC_SourceBIPs("solvent one", "solvent two", "method")

Argument name Description
Solvent one (required) Name of the first solvent
Solvent two (required) Name of the second solvent
Method (required) NRTL/UNIQUAC

 

Outputs

 

Example:

Do the following solvents pairs have BIPs in the database: (i) EtOH,

 

DC_CalcMW

The DC_CalcMW allows you to calculate the molecular weight for a compound from a valid chemical formula. In its simplest form it says

 

Syntax

• DC_CalcMW("chemical formula")

 

Example:

Calculate the molar mass for the following compounds:

i. CH4

ii. Cl2C:

iii. Na[+]

iv. C2O4[2-]

 

 

DC_CalcMIMass

The DC_CalcMIMass allows you to calculate the monoisotopic mass for a compound from a valid chemical formula. In its simplest form it says

• DC_CalcMIMass(input the chemical formula)

 

Syntax

• DC_CalcMIMass("chemical formula")

 

Example:

Calculate the monoisotopic mass for the following compounds:

i. CH4

ii. Cl2C:

iii. Na[+]

iv. C2O4[2-]

DC_Format

The DC_Format allows you to format the chemical formula where all the appropriate numbers are subscripted. For example, if you choose to carry out a DC_format on C4H10O2 you would get C4H10O2.

 

Syntax

• DC_Format(“chemical formula”)

 

For example:

The following examples show that various compounds can be formatted. For examples, if charged compounds are formatted, the charge is placed inside square bracket 

 

 

DC_ConvertUnit

The DC_ConvertUnit function allows you to inter convert between different units, for example it can convert grams to pounds or centimeters to inches.

 

 Syntax

• DC_ConvertUnit(number, "units in quotes", "units in quotes")

 

Examples:

       

Convert 30 cm into inches

 

 

Convert 12 kg into pounds

 

 

Convert 1 day into seconds

 

 

Convert 80 degrees Fahrenheit into degrees Celsius

 

 

Convert 998 kg/m3 into g/cm3

 

 

 


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