- InChI
- InChI=1S/C24H36O4/c1-2-3-4-5-11-18-27-23(25)21-16-9-10-17-22(21)24(26)28-19-12-15-20-13-7-6-8-14-20/h6-8,13-14,21-22H,2-5,9-12,15-19H2,1H3
- InChI Key
- NILXROAMBOTYBR-UHFFFAOYSA-N
- Formula
- C24H36O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)OCCC
c1ccccc1 - Molecular Weight1
- 388.54
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9443 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -845.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.482 | Crippen Calculated Property | |
| McVol | 329.280 | ml/mol | McGowan Calculated Property |
| Pc | 1104.47 | kPa | Joback Calculated Property |
| Inp | [2839.00; 2839.00] |
|
|
| Inp | 2839.00 | NIST | |
| Inp | 2839.00 | NIST | |
| Tboil | 682.19 | K | Relay (1.0) Calculated Property |
| Tc | 904.20 | K | Relay (1.0) Calculated Property |
| Tfus | 307.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.204 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1104.47; 1184.95] | J/mol×K | [906.72; 1119.38] |
|
| Cp,gas | 1104.47 | J/mol×K | 906.72 | Joback Calculated Property |
| Cp,gas | 1121.98 | J/mol×K | 942.16 | Joback Calculated Property |
| Cp,gas | 1137.80 | J/mol×K | 977.61 | Joback Calculated Property |
| Cp,gas | 1151.96 | J/mol×K | 1013.05 | Joback Calculated Property |
| Cp,gas | 1164.51 | J/mol×K | 1048.50 | Joback Calculated Property |
| Cp,gas | 1175.50 | J/mol×K | 1083.94 | Joback Calculated Property |
| Cp,gas | 1184.95 | J/mol×K | 1119.38 | Joback Calculated Property |
| η | [0.0000312; 0.0008258] | Pa×s | [474.46; 906.72] |
|
| η | 0.0008258 | Pa×s | 474.46 | Joback Calculated Property |
| η | 0.0003338 | Pa×s | 546.50 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 618.55 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 690.59 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 762.63 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 834.68 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 906.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl 3-phenylpropyl ester.
Sources
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