- InChI
- InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-15-21-30-26(28)24-18-13-14-19-25(24)27(29)31-22-20-23-16-11-10-12-17-23/h23-25H,2-22H2,1H3
- InChI Key
- GNSJGDZFWNZPSG-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)
OCCC1CCCCC1 - Molecular Weight1
- 436.67
- 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 | 1.0232 | Relay (1.0) Calculated Property | |
| ΔfG° | -403.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1134.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.380 | Crippen Calculated Property | |
| McVol | 384.450 | ml/mol | McGowan Calculated Property |
| Pc | 853.47 | kPa | Joback Calculated Property |
| Inp | [3129.00; 3129.00] |
|
|
| Inp | 3129.00 | NIST | |
| Inp | 3129.00 | NIST | |
| Tboil | 697.90 | K | Relay (1.0) Calculated Property |
| Tc | 921.96 | K | Relay (1.0) Calculated Property |
| Tfus | 309.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1388.20; 1474.14] | J/mol×K | [968.23; 1185.90] |
|
| Cp,gas | 1388.20 | J/mol×K | 968.23 | Joback Calculated Property |
| Cp,gas | 1407.61 | J/mol×K | 1004.51 | Joback Calculated Property |
| Cp,gas | 1424.91 | J/mol×K | 1040.79 | Joback Calculated Property |
| Cp,gas | 1440.16 | J/mol×K | 1077.06 | Joback Calculated Property |
| Cp,gas | 1453.41 | J/mol×K | 1113.34 | Joback Calculated Property |
| Cp,gas | 1464.72 | J/mol×K | 1149.62 | Joback Calculated Property |
| Cp,gas | 1474.14 | J/mol×K | 1185.90 | Joback Calculated Property |
| η | [0.0000196; 0.0007734] | Pa×s | [489.23; 968.23] |
|
| η | 0.0007734 | Pa×s | 489.23 | Joback Calculated Property |
| η | 0.0002729 | Pa×s | 569.06 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 648.90 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 728.73 | Joback Calculated Property |
| η | 0.0000412 | Pa×s | 808.56 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 888.40 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 968.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl undecyl ester.
Sources
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