- InChI
- InChI=1S/C15H13ClO3/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
- InChI Key
- DFHBBMJTBBLQSA-UHFFFAOYSA-N
- Formula
- C15H13ClO3
- SMILES
-
O=C(O)Cc1ccc(OCc2ccccc2)c(Cl)c
1 - Molecular Weight1
- 276.71
- CAS
- 60736-70-1
- Other Names
-
- [3-chloro-4-(phenylmethoxy)phenyl]acetic 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).
- 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° | -101.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.546 | Crippen Calculated Property | |
| McVol | 200.240 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Inp | [2207.00; 2207.00] |
|
|
| Inp | 2207.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Tboil | 811.82 | K | Joback Calculated Property |
| Tc | 1036.15 | K | Joback Calculated Property |
| Tfus | 499.59 | K | Joback Calculated Property |
| Vc | 0.751 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.58; 591.00] | J/mol×K | [811.82; 1036.15] |
|
| Cp,gas | 538.58 | J/mol×K | 811.82 | Joback Calculated Property |
| Cp,gas | 549.47 | J/mol×K | 849.21 | Joback Calculated Property |
| Cp,gas | 559.45 | J/mol×K | 886.60 | Joback Calculated Property |
| Cp,gas | 568.55 | J/mol×K | 923.98 | Joback Calculated Property |
| Cp,gas | 576.82 | J/mol×K | 961.37 | Joback Calculated Property |
| Cp,gas | 584.29 | J/mol×K | 998.76 | Joback Calculated Property |
| Cp,gas | 591.00 | J/mol×K | 1036.15 | Joback Calculated Property |
| η | [0.0000228; 0.0004747] | Pa×s | [499.59; 811.82] |
|
| η | 0.0004747 | Pa×s | 499.59 | Joback Calculated Property |
| η | 0.0002253 | Pa×s | 551.63 | Joback Calculated Property |
| η | 0.0001216 | Pa×s | 603.67 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 655.70 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 707.74 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 759.78 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 811.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Benzyloxy-3-chlorophenylacetic acid.
Sources
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