- InChI
- InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)24-20-14-15-21-25(24)27(29)31-23-18-17-19-23/h23-25H,2-22H2,1H3
- InChI Key
- ZWLIKLJULDPPNT-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C
(=O)OC1CCC1 - 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° | -225.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.21 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 7.523 | Crippen Calculated Property | |
| McVol | 384.450 | ml/mol | McGowan Calculated Property |
| Pc | 869.65 | kPa | Joback Calculated Property |
| Inp | [3107.00; 3107.00] |
|
|
| Inp | 3107.00 | NIST | |
| Inp | 3107.00 | NIST | |
| Tboil | 995.63 | K | Joback Calculated Property |
| Tc | 1219.16 | K | Joback Calculated Property |
| Tfus | 555.93 | K | Joback Calculated Property |
| Vc | 1.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1398.14; 1491.30] | J/mol×K | [995.63; 1219.16] |
|
| Cp,gas | 1398.14 | J/mol×K | 995.63 | Joback Calculated Property |
| Cp,gas | 1418.03 | J/mol×K | 1032.88 | Joback Calculated Property |
| Cp,gas | 1436.07 | J/mol×K | 1070.14 | Joback Calculated Property |
| Cp,gas | 1452.35 | J/mol×K | 1107.39 | Joback Calculated Property |
| Cp,gas | 1466.93 | J/mol×K | 1144.65 | Joback Calculated Property |
| Cp,gas | 1479.89 | J/mol×K | 1181.90 | Joback Calculated Property |
| Cp,gas | 1491.30 | J/mol×K | 1219.16 | Joback Calculated Property |
| η | [0.0000580; 0.0007155] | Pa×s | [555.93; 995.63] |
|
| η | 0.0007155 | Pa×s | 555.93 | Joback Calculated Property |
| η | 0.0003688 | Pa×s | 629.21 | Joback Calculated Property |
| η | 0.0002183 | Pa×s | 702.50 | Joback Calculated Property |
| η | 0.0001427 | Pa×s | 775.78 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 849.06 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 922.35 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 995.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclobutyl pentadecyl ester.
Sources
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