- InChI
- InChI=1S/C25H38O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-9,14-15,22-23H,2-6,10-13,16-20H2,1H3
- InChI Key
- HDJDOQGIINBKND-UHFFFAOYSA-N
- Formula
- C25H38O4
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC
Cc1ccccc1 - Molecular Weight1
- 402.57
- 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° | -179.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.95 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 5.872 | Crippen Calculated Property | |
| McVol | 343.370 | ml/mol | McGowan Calculated Property |
| Pc | 1094.27 | kPa | Joback Calculated Property |
| Inp | 2948.00 | NIST | |
| Tboil | 965.54 | K | Joback Calculated Property |
| Tc | 1185.74 | K | Joback Calculated Property |
| Tfus | 545.39 | K | Joback Calculated Property |
| Vc | 1.308 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1181.34; 1258.62] | J/mol×K | [965.54; 1185.74] | 
|
| Cp,gas | 1181.34 | J/mol×K | 965.54 | Joback Calculated Property |
| Cp,gas | 1198.34 | J/mol×K | 1002.24 | Joback Calculated Property |
| Cp,gas | 1213.62 | J/mol×K | 1038.94 | Joback Calculated Property |
| Cp,gas | 1227.25 | J/mol×K | 1075.64 | Joback Calculated Property |
| Cp,gas | 1239.25 | J/mol×K | 1112.34 | Joback Calculated Property |
| Cp,gas | 1249.69 | J/mol×K | 1149.04 | Joback Calculated Property |
| Cp,gas | 1258.62 | J/mol×K | 1185.74 | Joback Calculated Property |
| η | [0.0000356; 0.0004993] | Pa×s | [545.39; 965.54] |
|
| η | 0.0004993 | Pa×s | 545.39 | Joback Calculated Property |
| η | 0.0002503 | Pa×s | 615.41 | Joback Calculated Property |
| η | 0.0001444 | Pa×s | 685.44 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 755.46 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 825.49 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 895.51 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 965.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, octyl 3-phenylpropyl ester.
Sources
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