- InChI
- InChI=1S/C10H12O3/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
- InChI Key
- TVSPPYGAFOVROT-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CCC(Oc1ccccc1)C(=O)O
- Molecular Weight1
- 180.20
- CAS
- 13794-14-4
- Other Names
-
- «alpha»-Phenoxybutyric acid
- Butanoic acid, 2-phenoxy-
- 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° | -227.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 1.929 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1450.00] |
|
|
| Inp | 1450.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Tboil | 531.20 | K | NIST |
| Tc | 825.20 | K | Joback Calculated Property |
| Tfus | 346.86 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.77; 410.23] | J/mol×K | [622.91; 825.20] |
|
| Cp,gas | 351.77 | J/mol×K | 622.91 | Joback Calculated Property |
| Cp,gas | 363.16 | J/mol×K | 656.63 | Joback Calculated Property |
| Cp,gas | 373.87 | J/mol×K | 690.34 | Joback Calculated Property |
| Cp,gas | 383.91 | J/mol×K | 724.06 | Joback Calculated Property |
| Cp,gas | 393.31 | J/mol×K | 757.77 | Joback Calculated Property |
| Cp,gas | 402.07 | J/mol×K | 791.49 | Joback Calculated Property |
| Cp,gas | 410.23 | J/mol×K | 825.20 | Joback Calculated Property |
| η | [0.0000642; 0.0050139] | Pa×s | [346.86; 622.91] |
|
| η | 0.0050139 | Pa×s | 346.86 | Joback Calculated Property |
| η | 0.0015849 | Pa×s | 392.87 | Joback Calculated Property |
| η | 0.0006378 | Pa×s | 438.88 | Joback Calculated Property |
| η | 0.0003051 | Pa×s | 484.88 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 530.89 | Joback Calculated Property |
| η | 0.0000993 | Pa×s | 576.90 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 622.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxybutyric acid.
Sources
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