- InChI
- InChI=1S/C31H58O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-18-8-6-4-2/h28-29H,3-27H2,1-2H3
- InChI Key
- QWYFEBMXIAQWFP-UHFFFAOYSA-N
- Formula
- C31H58O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1
C(=O)OCCCCCCC - Molecular Weight1
- 494.79
- 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° | -240.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1138.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.03 | kJ/mol | Joback Calculated Property |
| log10WS | -9.94 | Crippen Calculated Property | |
| logPoct/wat | 9.331 | Crippen Calculated Property | |
| McVol | 451.670 | ml/mol | McGowan Calculated Property |
| Pc | 647.46 | kPa | Joback Calculated Property |
| Inp | [3450.00; 3450.00] |
|
|
| Inp | 3450.00 | NIST | |
| Inp | 3450.00 | NIST | |
| Tboil | 1076.14 | K | Joback Calculated Property |
| Tc | 1339.80 | K | Joback Calculated Property |
| Tfus | 586.59 | K | Joback Calculated Property |
| Vc | 1.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1669.54; 1759.01] | J/mol×K | [1076.14; 1339.80] |
|
| Cp,gas | 1669.54 | J/mol×K | 1076.14 | Joback Calculated Property |
| Cp,gas | 1691.03 | J/mol×K | 1120.08 | Joback Calculated Property |
| Cp,gas | 1709.74 | J/mol×K | 1164.03 | Joback Calculated Property |
| Cp,gas | 1725.79 | J/mol×K | 1207.97 | Joback Calculated Property |
| Cp,gas | 1739.28 | J/mol×K | 1251.91 | Joback Calculated Property |
| Cp,gas | 1750.31 | J/mol×K | 1295.85 | Joback Calculated Property |
| Cp,gas | 1759.01 | J/mol×K | 1339.80 | Joback Calculated Property |
| η | [0.0000136; 0.0002675] | Pa×s | [586.59; 1076.14] |
|
| η | 0.0002675 | Pa×s | 586.59 | Joback Calculated Property |
| η | 0.0001202 | Pa×s | 668.18 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 749.77 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 831.37 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 912.96 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 994.55 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 1076.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl heptyl ester.
Sources
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