- InChI
- InChI=1S/C28H50O4/c1-3-5-7-9-10-11-12-13-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3
- InChI Key
- ILNHVAYEBKHFKK-UHFFFAOYSA-N
- Formula
- C28H50O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C1CC=CCC1C(
=O)OCCCCCCC - Molecular Weight1
- 450.69
- 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° | -236.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1019.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.65 | kJ/mol | Joback Calculated Property |
| log10WS | -8.53 | Crippen Calculated Property | |
| logPoct/wat | 7.937 | Crippen Calculated Property | |
| McVol | 405.100 | ml/mol | McGowan Calculated Property |
| Pc | 769.04 | kPa | Joback Calculated Property |
| Inp | 3088.00 | NIST | |
| Tboil | 1006.66 | K | Joback Calculated Property |
| Tc | 1237.24 | K | Joback Calculated Property |
| Tfus | 553.54 | K | Joback Calculated Property |
| Vc | 1.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1443.01; 1533.29] | J/mol×K | [1006.66; 1237.24] | 
|
| Cp,gas | 1443.01 | J/mol×K | 1006.66 | Joback Calculated Property |
| Cp,gas | 1462.94 | J/mol×K | 1045.09 | Joback Calculated Property |
| Cp,gas | 1480.83 | J/mol×K | 1083.52 | Joback Calculated Property |
| Cp,gas | 1496.76 | J/mol×K | 1121.95 | Joback Calculated Property |
| Cp,gas | 1510.76 | J/mol×K | 1160.38 | Joback Calculated Property |
| Cp,gas | 1522.92 | J/mol×K | 1198.81 | Joback Calculated Property |
| Cp,gas | 1533.29 | J/mol×K | 1237.24 | Joback Calculated Property |
| η | [0.0000239; 0.0004005] | Pa×s | [553.54; 1006.66] |
|
| η | 0.0004005 | Pa×s | 553.54 | Joback Calculated Property |
| η | 0.0001889 | Pa×s | 629.06 | Joback Calculated Property |
| η | 0.0001047 | Pa×s | 704.58 | Joback Calculated Property |
| η | 0.0000651 | Pa×s | 780.10 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 855.62 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 931.14 | Joback Calculated Property |
| η | 0.0000239 | Pa×s | 1006.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl tridecyl ester.
Sources
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