- InChI
- InChI=1S/C17H30O4/c1-3-5-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-6-4-2/h14-15H,3-13H2,1-2H3
- InChI Key
- MHLAFTPJAGNOOB-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
- CCCCCOC(=O)C1CCCCC1C(=O)OCCCC
- Molecular Weight1
- 298.42
- 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° | -358.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 254.410 | ml/mol | McGowan Calculated Property |
| Pc | 1495.35 | kPa | Joback Calculated Property |
| Inp | [2031.00; 2031.00] |
|
|
| Inp | 2031.00 | NIST | |
| Inp | 2031.00 | NIST | |
| Tboil | 755.82 | K | Joback Calculated Property |
| Tc | 950.83 | K | Joback Calculated Property |
| Tfus | 428.81 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.64; 885.53] | J/mol×K | [755.82; 950.83] |
|
| Cp,gas | 789.64 | J/mol×K | 755.82 | Joback Calculated Property |
| Cp,gas | 808.55 | J/mol×K | 788.32 | Joback Calculated Property |
| Cp,gas | 826.28 | J/mol×K | 820.82 | Joback Calculated Property |
| Cp,gas | 842.83 | J/mol×K | 853.33 | Joback Calculated Property |
| Cp,gas | 858.22 | J/mol×K | 885.83 | Joback Calculated Property |
| Cp,gas | 872.45 | J/mol×K | 918.33 | Joback Calculated Property |
| Cp,gas | 885.53 | J/mol×K | 950.83 | Joback Calculated Property |
| η | [0.0001055; 0.0013472] | Pa×s | [428.81; 755.82] |
|
| η | 0.0013472 | Pa×s | 428.81 | Joback Calculated Property |
| η | 0.0006936 | Pa×s | 483.31 | Joback Calculated Property |
| η | 0.0004086 | Pa×s | 537.81 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 592.31 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 646.82 | Joback Calculated Property |
| η | 0.0001368 | Pa×s | 701.32 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 755.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl pentyl ester.
Sources
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