- InChI
- InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
- InChI Key
- XJHGAJLIKDAOPE-UHFFFAOYSA-N
- Formula
- C15H14O3
- SMILES
- O=C(O)Cc1ccc(OCc2ccccc2)cc1
- Molecular Weight1
- 242.27
- CAS
- 6547-53-1
- Other Names
-
- Benzeneacetic acid, 4-(phenylmethoxy)-
- 4-(Phenylmethoxy)benzeneacetic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | -80.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.60 | Crippen Calculated Property | |
| logPoct/wat | 2.893 | Crippen Calculated Property | |
| McVol | 188.000 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Tboil | 769.41 | K | Joback Calculated Property |
| Tc | 990.02 | K | Joback Calculated Property |
| Tfus | 457.15 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.05; 577.31] | J/mol×K | [769.41; 990.02] | 
|
| Cp,gas | 518.05 | J/mol×K | 769.41 | Joback Calculated Property |
| Cp,gas | 530.17 | J/mol×K | 806.18 | Joback Calculated Property |
| Cp,gas | 541.33 | J/mol×K | 842.95 | Joback Calculated Property |
| Cp,gas | 551.58 | J/mol×K | 879.72 | Joback Calculated Property |
| Cp,gas | 560.97 | J/mol×K | 916.48 | Joback Calculated Property |
| Cp,gas | 569.53 | J/mol×K | 953.25 | Joback Calculated Property |
| Cp,gas | 577.31 | J/mol×K | 990.02 | Joback Calculated Property |
| η | [0.0000272; 0.0008128] | Pa×s | [457.15; 769.41] |
|
| η | 0.0008128 | Pa×s | 457.15 | Joback Calculated Property |
| η | 0.0003455 | Pa×s | 509.19 | Joback Calculated Property |
| η | 0.0001721 | Pa×s | 561.24 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 613.28 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 665.32 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 717.37 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 769.41 | Joback Calculated Property |
| ΔfusH | 29.30 | kJ/mol | 396.10 | NIST |
| ΔsubH | 107.30 ± 3.00 | kJ/mol | 382.50 | NIST |
Similar Compounds
Find more compounds similar to 4-Benzyloxyphenyl acetic acid.
Sources
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