- InChI
- InChI=1S/C27H48O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-8-6-4-2/h16-17,24-25H,3-15,18-23H2,1-2H3
- InChI Key
- NRTJYIGJSBPBKL-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C1CC=CCC1C(
=O)OCCCCCC - Molecular Weight1
- 436.67
- 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° | -244.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -998.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 7.546 | Crippen Calculated Property | |
| McVol | 391.010 | ml/mol | McGowan Calculated Property |
| Pc | 811.68 | kPa | Joback Calculated Property |
| Inp | [2982.00; 2982.00] |
|
|
| Inp | 2982.00 | NIST | |
| Inp | 2982.00 | NIST | |
| Tboil | 983.78 | K | Joback Calculated Property |
| Tc | 1206.49 | K | Joback Calculated Property |
| Tfus | 542.27 | K | Joback Calculated Property |
| Vc | 1.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1378.93; 1469.72] | J/mol×K | [983.78; 1206.49] |
|
| Cp,gas | 1378.93 | J/mol×K | 983.78 | Joback Calculated Property |
| Cp,gas | 1398.60 | J/mol×K | 1020.90 | Joback Calculated Property |
| Cp,gas | 1416.38 | J/mol×K | 1058.02 | Joback Calculated Property |
| Cp,gas | 1432.34 | J/mol×K | 1095.13 | Joback Calculated Property |
| Cp,gas | 1446.51 | J/mol×K | 1132.25 | Joback Calculated Property |
| Cp,gas | 1458.95 | J/mol×K | 1169.37 | Joback Calculated Property |
| Cp,gas | 1469.72 | J/mol×K | 1206.49 | Joback Calculated Property |
| η | [0.0000279; 0.0004533] | Pa×s | [542.27; 983.78] |
|
| η | 0.0004533 | Pa×s | 542.27 | Joback Calculated Property |
| η | 0.0002157 | Pa×s | 615.86 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 689.44 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 763.03 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 836.61 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 910.20 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 983.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl tridecyl ester.
Sources
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