- InChI
- InChI=1S/C27H42O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h15-17,21,24-25H,3-14,18-20H2,1-2H3
- InChI Key
- PTDNNQMIUOANCB-UHFFFAOYSA-N
- Formula
- C27H42O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)Oc1cccc(C)c1 - Molecular Weight1
- 430.62
- 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 | 1.0787 | Relay (... Calculated Property | |
| ΔfG° | -171.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -934.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 57.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.59 | eV | Relay (... Calculated Property |
| log10WS | -7.23 | Relay (... Calculated Property | |
| logPoct/wat | 7.171 | Crippen Calculated Property | |
| McVol | 371.550 | ml/mol | McGowan Calculated Property |
| Pc | 958.51 | kPa | Joback Calculated Property |
| Inp | 3147.00 | NIST | |
| Tboil | 695.92 | K | Relay (... Calculated Property |
| Tc | 928.64 | K | Relay (... Calculated Property |
| Tfus | 326.82 | K | Relay (... Calculated Property |
| Vc | 1.363 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1305.23; 1377.97] | J/mol×K | [1016.28; 1244.40] | 
|
| Cp,gas | 1305.23 | J/mol×K | 1016.28 | Joback Calculated Property |
| Cp,gas | 1321.91 | J/mol×K | 1054.30 | Joback Calculated Property |
| Cp,gas | 1336.69 | J/mol×K | 1092.32 | Joback Calculated Property |
| Cp,gas | 1349.64 | J/mol×K | 1130.34 | Joback Calculated Property |
| Cp,gas | 1360.79 | J/mol×K | 1168.36 | Joback Calculated Property |
| Cp,gas | 1370.22 | J/mol×K | 1206.38 | Joback Calculated Property |
| Cp,gas | 1377.97 | J/mol×K | 1244.40 | Joback Calculated Property |
| η | [0.0000271; 0.0003459] | Pa×s | [580.45; 1016.28] |
|
| η | 0.0003459 | Pa×s | 580.45 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 653.09 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 725.73 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 798.37 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 871.00 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 943.64 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 1016.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester.
Sources
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