- InChI
- InChI=1S/C15H22O2/c1-12(2)8-7-11-17-15(16)13(3)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3
- InChI Key
- MIKSASOGRXFXRG-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CC(C)CCCOC(=O)C(C)c1ccccc1
- Molecular Weight1
- 234.33
- 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° | -50.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.79 | Crippen Calculated Property | |
| logPoct/wat | 3.769 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | [2070.00; 2070.00] |
|
|
| Inp | 2070.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Tboil | 644.69 | K | Joback Calculated Property |
| Tc | 849.49 | K | Joback Calculated Property |
| Tfus | 327.39 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.27; 637.40] | J/mol×K | [644.69; 849.49] |
|
| Cp,gas | 547.27 | J/mol×K | 644.69 | Joback Calculated Property |
| Cp,gas | 564.75 | J/mol×K | 678.82 | Joback Calculated Property |
| Cp,gas | 581.20 | J/mol×K | 712.96 | Joback Calculated Property |
| Cp,gas | 596.67 | J/mol×K | 747.09 | Joback Calculated Property |
| Cp,gas | 611.16 | J/mol×K | 781.22 | Joback Calculated Property |
| Cp,gas | 624.73 | J/mol×K | 815.35 | Joback Calculated Property |
| Cp,gas | 637.40 | J/mol×K | 849.49 | Joback Calculated Property |
| η | [0.0001178; 0.0032184] | Pa×s | [327.39; 644.69] |
|
| η | 0.0032184 | Pa×s | 327.39 | Joback Calculated Property |
| η | 0.0012640 | Pa×s | 380.27 | Joback Calculated Property |
| η | 0.0006237 | Pa×s | 433.16 | Joback Calculated Property |
| η | 0.0003589 | Pa×s | 486.04 | Joback Calculated Property |
| η | 0.0002302 | Pa×s | 538.92 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 591.81 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 644.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, isohexyl ester.
Sources
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