- InChI
- InChI=1S/C9H9ClO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
- InChI Key
- PINQDVFQCCFACD-UHFFFAOYSA-N
- Formula
- C9H9ClO3
- SMILES
- COC(=O)c1ccc(OC)c(Cl)c1
- Molecular Weight1
- 200.62
- CAS
- 37908-98-8
- Other Names
-
- Benzoic acid, 3-chloro-4-methoxy-, methyl ester
- 3-Cl-4-CH3O-C6H3-COOCH3
- methyl 3-chloro-p-anisate
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 858.40 | kJ/mol | NIST |
| BasG | 827.50 | kJ/mol | NIST |
| ΔfG° | -232.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.135 | Crippen Calculated Property | |
| McVol | 139.460 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Tboil | 578.10 | K | Joback Calculated Property |
| Tc | 798.52 | K | Joback Calculated Property |
| Tfus | 366.96 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.40; 360.25] | J/mol×K | [578.10; 798.52] | 
|
| Cp,gas | 302.40 | J/mol×K | 578.10 | Joback Calculated Property |
| Cp,gas | 313.52 | J/mol×K | 614.84 | Joback Calculated Property |
| Cp,gas | 324.06 | J/mol×K | 651.57 | Joback Calculated Property |
| Cp,gas | 334.01 | J/mol×K | 688.31 | Joback Calculated Property |
| Cp,gas | 343.37 | J/mol×K | 725.05 | Joback Calculated Property |
| Cp,gas | 352.12 | J/mol×K | 761.78 | Joback Calculated Property |
| Cp,gas | 360.25 | J/mol×K | 798.52 | Joback Calculated Property |
| η | [0.0001811; 0.0010339] | Pa×s | [366.96; 578.10] |
|
| η | 0.0010339 | Pa×s | 366.96 | Joback Calculated Property |
| η | 0.0006811 | Pa×s | 402.15 | Joback Calculated Property |
| η | 0.0004798 | Pa×s | 437.34 | Joback Calculated Property |
| η | 0.0003562 | Pa×s | 472.53 | Joback Calculated Property |
| η | 0.0002755 | Pa×s | 507.72 | Joback Calculated Property |
| η | 0.0002203 | Pa×s | 542.91 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 578.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3-chloro-4-methoxybenzoate.
Sources
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