- InChI
- InChI=1S/C12H16O2/c1-2-10(8-9-12(13)14)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,13,14)
- InChI Key
- UDMXQDPTPVIQAG-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CCC(CCC(=O)O)c1ccccc1
- Molecular Weight1
- 192.25
- CAS
- 5354-04-1
- 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).
- 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° | -105.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 3.045 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Tboil | 646.25 | K | Joback Calculated Property |
| Tc | 844.92 | K | Joback Calculated Property |
| Tfus | 347.17 | K | Joback Calculated Property |
| Vc | 0.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.46; 491.84] | J/mol×K | [646.25; 844.92] | 
|
| Cp,gas | 425.46 | J/mol×K | 646.25 | Joback Calculated Property |
| Cp,gas | 438.35 | J/mol×K | 679.36 | Joback Calculated Property |
| Cp,gas | 450.47 | J/mol×K | 712.47 | Joback Calculated Property |
| Cp,gas | 461.84 | J/mol×K | 745.58 | Joback Calculated Property |
| Cp,gas | 472.50 | J/mol×K | 778.69 | Joback Calculated Property |
| Cp,gas | 482.49 | J/mol×K | 811.81 | Joback Calculated Property |
| Cp,gas | 491.84 | J/mol×K | 844.92 | Joback Calculated Property |
| η | [0.0000615; 0.0063405] | Pa×s | [347.17; 646.25] |
|
| η | 0.0063405 | Pa×s | 347.17 | Joback Calculated Property |
| η | 0.0018029 | Pa×s | 397.02 | Joback Calculated Property |
| η | 0.0006786 | Pa×s | 446.86 | Joback Calculated Property |
| η | 0.0003108 | Pa×s | 496.71 | Joback Calculated Property |
| η | 0.0001641 | Pa×s | 546.56 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 596.40 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 646.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 4-phenyl-.
Sources
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