- InChI
- InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-24-21(22)19-14-16-20(23-2)17-15-19/h19-20H,3-18H2,1-2H3
- InChI Key
- LIKUENJUJVSIDS-UHFFFAOYSA-N
- Formula
- C21H40O3
- SMILES
-
CCCCCCCCCCCCCOC(=O)C1CCC(OC)CC
1 - Molecular Weight1
- 340.54
- 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° | -196.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 6.046 | Crippen Calculated Property | |
| McVol | 309.200 | ml/mol | McGowan Calculated Property |
| Pc | 1087.06 | kPa | Joback Calculated Property |
| Inp | [2468.00; 2468.00] |
|
|
| Inp | 2468.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Tboil | 793.47 | K | Joback Calculated Property |
| Tc | 981.49 | K | Joback Calculated Property |
| Tfus | 423.96 | K | Joback Calculated Property |
| Vc | 1.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1003.70; 1112.19] | J/mol×K | [793.47; 981.49] |
|
| Cp,gas | 1003.70 | J/mol×K | 793.47 | Joback Calculated Property |
| Cp,gas | 1024.92 | J/mol×K | 824.81 | Joback Calculated Property |
| Cp,gas | 1044.87 | J/mol×K | 856.14 | Joback Calculated Property |
| Cp,gas | 1063.54 | J/mol×K | 887.48 | Joback Calculated Property |
| Cp,gas | 1080.98 | J/mol×K | 918.82 | Joback Calculated Property |
| Cp,gas | 1097.19 | J/mol×K | 950.15 | Joback Calculated Property |
| Cp,gas | 1112.19 | J/mol×K | 981.49 | Joback Calculated Property |
| η | [0.0000635; 0.0011736] | Pa×s | [423.96; 793.47] |
|
| η | 0.0011736 | Pa×s | 423.96 | Joback Calculated Property |
| η | 0.0005304 | Pa×s | 485.54 | Joback Calculated Property |
| η | 0.0002866 | Pa×s | 547.13 | Joback Calculated Property |
| η | 0.0001754 | Pa×s | 608.72 | Joback Calculated Property |
| η | 0.0001175 | Pa×s | 670.30 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 731.88 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 793.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, tridecyl ester.
Sources
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