- InChI
- InChI=1S/C13H18O3/c1-13(2,16)9-8-11(12(14)15)10-6-4-3-5-7-10/h3-7,11,16H,8-9H2,1-2H3,(H,14,15)
- InChI Key
- TUGVMPVCGJMFKT-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- CC(C)(O)CCC(C(=O)O)c1ccccc1
- Molecular Weight1
- 222.28
- 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° | -231.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.406 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | [1674.40; 1674.40] |
|
|
| Inp | 1674.40 | NIST | |
| Inp | 1674.40 | NIST | |
| Tboil | 758.08 | K | Joback Calculated Property |
| Tc | 955.08 | K | Joback Calculated Property |
| Tfus | 421.68 | K | Joback Calculated Property |
| Vc | 0.682 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.34; 589.54] | J/mol×K | [758.08; 955.08] |
|
| Cp,gas | 532.34 | J/mol×K | 758.08 | Joback Calculated Property |
| Cp,gas | 543.51 | J/mol×K | 790.91 | Joback Calculated Property |
| Cp,gas | 553.95 | J/mol×K | 823.75 | Joback Calculated Property |
| Cp,gas | 563.72 | J/mol×K | 856.58 | Joback Calculated Property |
| Cp,gas | 572.87 | J/mol×K | 889.41 | Joback Calculated Property |
| Cp,gas | 581.46 | J/mol×K | 922.25 | Joback Calculated Property |
| Cp,gas | 589.54 | J/mol×K | 955.08 | Joback Calculated Property |
| η | [0.0000068; 0.0022793] | Pa×s | [421.68; 758.08] |
|
| η | 0.0022793 | Pa×s | 421.68 | Joback Calculated Property |
| η | 0.0004889 | Pa×s | 477.75 | Joback Calculated Property |
| η | 0.0001449 | Pa×s | 533.81 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 589.88 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 645.95 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 702.01 | Joback Calculated Property |
| η | 0.0000068 | Pa×s | 758.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hydroxy-5-methyl-2-phenylhexanoic acid.
Sources
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