- InChI
- InChI=1S/C22H32O4/c1-3-4-5-6-9-15-25-21(23)19-13-7-8-14-20(19)22(24)26-18-12-10-11-17(2)16-18/h10-12,16,19-20H,3-9,13-15H2,1-2H3
- InChI Key
- HZSSQPISMQKMBH-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1c
ccc(C)c1 - Molecular Weight1
- 360.49
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -213.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 5.220 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | [2623.00; 2623.00] |
|
|
| Inp | 2623.00 | NIST | |
| Inp | 2623.00 | NIST | |
| Tboil | 901.88 | K | Joback Calculated Property |
| Tc | 1119.41 | K | Joback Calculated Property |
| Tfus | 524.10 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [996.81; 1076.30] | J/mol×K | [901.88; 1119.41] |
|
| Cp,gas | 996.81 | J/mol×K | 901.88 | Joback Calculated Property |
| Cp,gas | 1013.95 | J/mol×K | 938.13 | Joback Calculated Property |
| Cp,gas | 1029.50 | J/mol×K | 974.39 | Joback Calculated Property |
| Cp,gas | 1043.48 | J/mol×K | 1010.64 | Joback Calculated Property |
| Cp,gas | 1055.92 | J/mol×K | 1046.90 | Joback Calculated Property |
| Cp,gas | 1066.85 | J/mol×K | 1083.15 | Joback Calculated Property |
| Cp,gas | 1076.30 | J/mol×K | 1119.41 | Joback Calculated Property |
| η | [0.0000559; 0.0006041] | Pa×s | [524.10; 901.88] |
|
| η | 0.0006041 | Pa×s | 524.10 | Joback Calculated Property |
| η | 0.0003285 | Pa×s | 587.06 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 650.03 | Joback Calculated Property |
| η | 0.0001341 | Pa×s | 712.99 | Joback Calculated Property |
| η | 0.0000956 | Pa×s | 775.95 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 838.92 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 901.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl 3-methylphenyl ester.
Sources
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