- InChI
- InChI=1S/C13H22O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h10-11H,3-9H2,1-2H3
- InChI Key
- ZKFODBATINNMGH-UHFFFAOYSA-N
- Formula
- C13H22O4
- SMILES
- CCCCOC(=O)C1CCCCC1C(=O)OC
- Molecular Weight1
- 242.31
- 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° | -392.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 2.309 | Crippen Calculated Property | |
| McVol | 198.050 | ml/mol | McGowan Calculated Property |
| Pc | 2062.36 | kPa | Joback Calculated Property |
| Inp | [1673.00; 1673.00] |
|
|
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Tboil | 664.30 | K | Joback Calculated Property |
| Tc | 866.32 | K | Joback Calculated Property |
| Tfus | 383.73 | K | Joback Calculated Property |
| Vc | 0.744 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.20; 655.92] | J/mol×K | [664.30; 866.32] |
|
| Cp,gas | 563.20 | J/mol×K | 664.30 | Joback Calculated Property |
| Cp,gas | 581.24 | J/mol×K | 697.97 | Joback Calculated Property |
| Cp,gas | 598.24 | J/mol×K | 731.64 | Joback Calculated Property |
| Cp,gas | 614.21 | J/mol×K | 765.31 | Joback Calculated Property |
| Cp,gas | 629.15 | J/mol×K | 798.98 | Joback Calculated Property |
| Cp,gas | 643.05 | J/mol×K | 832.65 | Joback Calculated Property |
| Cp,gas | 655.92 | J/mol×K | 866.32 | Joback Calculated Property |
| η | [0.0001707; 0.0018145] | Pa×s | [383.73; 664.30] |
|
| η | 0.0018145 | Pa×s | 383.73 | Joback Calculated Property |
| η | 0.0009879 | Pa×s | 430.49 | Joback Calculated Property |
| η | 0.0006059 | Pa×s | 477.25 | Joback Calculated Property |
| η | 0.0004055 | Pa×s | 524.01 | Joback Calculated Property |
| η | 0.0002899 | Pa×s | 570.78 | Joback Calculated Property |
| η | 0.0002180 | Pa×s | 617.54 | Joback Calculated Property |
| η | 0.0001707 | Pa×s | 664.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl methyl ester.
Sources
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