- InChI
- InChI=1S/C14H11ClO3/c1-17-12-6-2-10(3-7-12)14(16)18-13-8-4-11(15)5-9-13/h2-9H,1H3
- InChI Key
- NUUGTSDUQSAQIU-UHFFFAOYSA-N
- Formula
- C14H11ClO3
- SMILES
- COc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1
- Molecular Weight1
- 262.69
- 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° | -78.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 3.568 | Crippen Calculated Property | |
| McVol | 186.150 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Inp | [2117.00; 2117.00] |
|
|
| Inp | 2117.00 | NIST | |
| Inp | 2117.00 | NIST | |
| Tboil | 719.18 | K | Joback Calculated Property |
| Tc | 962.28 | K | Joback Calculated Property |
| Tfus | 449.73 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.12; 526.34] | J/mol×K | [719.18; 962.28] |
|
| Cp,gas | 463.12 | J/mol×K | 719.18 | Joback Calculated Property |
| Cp,gas | 476.37 | J/mol×K | 759.70 | Joback Calculated Property |
| Cp,gas | 488.52 | J/mol×K | 800.21 | Joback Calculated Property |
| Cp,gas | 499.56 | J/mol×K | 840.73 | Joback Calculated Property |
| Cp,gas | 509.54 | J/mol×K | 881.24 | Joback Calculated Property |
| Cp,gas | 518.46 | J/mol×K | 921.76 | Joback Calculated Property |
| Cp,gas | 526.34 | J/mol×K | 962.28 | Joback Calculated Property |
| η | [0.0001096; 0.0007169] | Pa×s | [449.73; 719.18] |
|
| η | 0.0007169 | Pa×s | 449.73 | Joback Calculated Property |
| η | 0.0004548 | Pa×s | 494.64 | Joback Calculated Property |
| η | 0.0003112 | Pa×s | 539.55 | Joback Calculated Property |
| η | 0.0002257 | Pa×s | 584.45 | Joback Calculated Property |
| η | 0.0001714 | Pa×s | 629.36 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 674.27 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 719.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Anisic acid, 4-chlorophenyl ester.
Sources
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