- InChI
- InChI=1S/C27H50O4/c1-4-6-7-8-9-10-11-12-13-14-15-18-21-30-26(28)24-19-16-17-20-25(24)27(29)31-22-23(3)5-2/h23-25H,4-22H2,1-3H3
- InChI Key
- MBDVIKUCQJDRHA-UHFFFAOYSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(
=O)OCC(C)CC - Molecular Weight1
- 438.68
- 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° | -277.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1061.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.74 | kJ/mol | Joback Calculated Property |
| log10WS | -8.02 | Crippen Calculated Property | |
| logPoct/wat | 7.626 | Crippen Calculated Property | |
| McVol | 395.310 | ml/mol | McGowan Calculated Property |
| Pc | 798.89 | kPa | Joback Calculated Property |
| Inp | [3003.00; 3003.00] |
|
|
| Inp | 3003.00 | NIST | |
| Inp | 3003.00 | NIST | |
| Tboil | 984.18 | K | Joback Calculated Property |
| Tc | 1206.59 | K | Joback Calculated Property |
| Tfus | 526.51 | K | Joback Calculated Property |
| Vc | 1.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1410.73; 1503.56] | J/mol×K | [984.18; 1206.59] |
|
| Cp,gas | 1410.73 | J/mol×K | 984.18 | Joback Calculated Property |
| Cp,gas | 1430.94 | J/mol×K | 1021.25 | Joback Calculated Property |
| Cp,gas | 1449.19 | J/mol×K | 1058.32 | Joback Calculated Property |
| Cp,gas | 1465.52 | J/mol×K | 1095.39 | Joback Calculated Property |
| Cp,gas | 1480.00 | J/mol×K | 1132.45 | Joback Calculated Property |
| Cp,gas | 1492.66 | J/mol×K | 1169.52 | Joback Calculated Property |
| Cp,gas | 1503.56 | J/mol×K | 1206.59 | Joback Calculated Property |
| η | [0.0000231; 0.0005103] | Pa×s | [526.51; 984.18] |
|
| η | 0.0005103 | Pa×s | 526.51 | Joback Calculated Property |
| η | 0.0002198 | Pa×s | 602.79 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 679.07 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 755.35 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 831.62 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 907.90 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 984.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl tetradecyl ester.
Sources
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