- InChI
- InChI=1S/C9H9ClO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
- InChI Key
- QOTGNXMPQNGYDM-UHFFFAOYSA-N
- Formula
- C9H9ClO2
- SMILES
- COC(=O)c1ccc(Cl)c(C)c1
- Molecular Weight1
- 184.62
- CAS
- 91367-05-4
- Other Names
-
- Benzoic acid, 4-chloro-3-methyl-, methyl ester
- 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 |
|---|---|---|---|
| ΔfG° | -127.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.77 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.435 | Crippen Calculated Property | |
| McVol | 133.590 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Tboil | 555.68 | K | Joback Calculated Property |
| Tc | 778.87 | K | Joback Calculated Property |
| Tfus | 344.73 | K | Joback Calculated Property |
| Vc | 0.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.08; 338.26] | J/mol×K | [555.68; 778.87] | 
|
| Cp,gas | 280.08 | J/mol×K | 555.68 | Joback Calculated Property |
| Cp,gas | 291.31 | J/mol×K | 592.88 | Joback Calculated Property |
| Cp,gas | 301.92 | J/mol×K | 630.08 | Joback Calculated Property |
| Cp,gas | 311.91 | J/mol×K | 667.27 | Joback Calculated Property |
| Cp,gas | 321.30 | J/mol×K | 704.47 | Joback Calculated Property |
| Cp,gas | 330.08 | J/mol×K | 741.67 | Joback Calculated Property |
| Cp,gas | 338.26 | J/mol×K | 778.87 | Joback Calculated Property |
| η | [0.0002223; 0.0013360] | Pa×s | [344.73; 555.68] |
|
| η | 0.0013360 | Pa×s | 344.73 | Joback Calculated Property |
| η | 0.0008629 | Pa×s | 379.89 | Joback Calculated Property |
| η | 0.0006002 | Pa×s | 415.05 | Joback Calculated Property |
| η | 0.0004418 | Pa×s | 450.20 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 485.36 | Joback Calculated Property |
| η | 0.0002710 | Pa×s | 520.52 | Joback Calculated Property |
| η | 0.0002223 | Pa×s | 555.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 4-chloro-3-methylbenzoate.
Sources
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