- InChI
- InChI=1S/C17H17ClO3/c1-12(17(19)20-2)14-8-9-16(15(18)10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
- InChI Key
- BQLBOVHEXZBZFX-UHFFFAOYSA-N
- Formula
- C17H17ClO3
- SMILES
-
COC(=O)C(C)c1ccc(OCc2ccccc2)c(
Cl)c1 - Molecular Weight1
- 304.77
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6685 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.196 | Crippen Calculated Property | |
| McVol | 228.420 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | 2240.10 | NIST | |
| Tboil | 612.02 | K | Relay (1.0) Calculated Property |
| Tc | 883.57 | K | Relay (1.0) Calculated Property |
| Tfus | 336.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.815 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.46; 692.64] | J/mol×K | [787.38; 1021.29] | 
|
| Cp,gas | 623.46 | J/mol×K | 787.38 | Joback Calculated Property |
| Cp,gas | 638.00 | J/mol×K | 826.36 | Joback Calculated Property |
| Cp,gas | 651.30 | J/mol×K | 865.35 | Joback Calculated Property |
| Cp,gas | 663.38 | J/mol×K | 904.33 | Joback Calculated Property |
| Cp,gas | 674.28 | J/mol×K | 943.32 | Joback Calculated Property |
| Cp,gas | 684.02 | J/mol×K | 982.30 | Joback Calculated Property |
| Cp,gas | 692.64 | J/mol×K | 1021.29 | Joback Calculated Property |
| η | [0.0000701; 0.0006486] | Pa×s | [468.54; 787.38] |
|
| η | 0.0006486 | Pa×s | 468.54 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 521.68 | Joback Calculated Property |
| η | 0.0002348 | Pa×s | 574.82 | Joback Calculated Property |
| η | 0.0001607 | Pa×s | 627.96 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 681.10 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 734.24 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 787.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester.
Sources
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