- InChI
- InChI=1S/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
- InChI Key
- YKNORODREYVARM-UHFFFAOYSA-N
- Formula
- C14H12O3
- SMILES
- O=C(O)c1ccccc1COc1ccccc1
- Molecular Weight1
- 228.24
- CAS
- 724-98-1
- Other Names
-
- Benzoic acid, 2-(phenoxymethyl)-
- o-(phenoxymethyl)benzoic acid
- 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° | -88.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 2.964 | Crippen Calculated Property | |
| McVol | 173.910 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Tboil | 746.53 | K | Joback Calculated Property |
| Tc | 970.42 | K | Joback Calculated Property |
| Tfus | 445.88 | K | Joback Calculated Property |
| Vc | 0.646 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.37; 522.33] | J/mol×K | [746.53; 970.42] | 
|
| Cp,gas | 465.37 | J/mol×K | 746.53 | Joback Calculated Property |
| Cp,gas | 477.06 | J/mol×K | 783.85 | Joback Calculated Property |
| Cp,gas | 487.82 | J/mol×K | 821.16 | Joback Calculated Property |
| Cp,gas | 497.68 | J/mol×K | 858.48 | Joback Calculated Property |
| Cp,gas | 506.70 | J/mol×K | 895.79 | Joback Calculated Property |
| Cp,gas | 514.90 | J/mol×K | 933.11 | Joback Calculated Property |
| Cp,gas | 522.33 | J/mol×K | 970.42 | Joback Calculated Property |
| η | [0.0000321; 0.0009347] | Pa×s | [445.88; 746.53] |
|
| η | 0.0009347 | Pa×s | 445.88 | Joback Calculated Property |
| η | 0.0004012 | Pa×s | 495.99 | Joback Calculated Property |
| η | 0.0002012 | Pa×s | 546.10 | Joback Calculated Property |
| η | 0.0001133 | Pa×s | 596.20 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 646.31 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 696.42 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 746.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Phenoxymethyl)benzoic acid.
Sources
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