- InChI
- InChI=1S/C11H13ClO2S/c1-8(11(13)14-2)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
- InChI Key
- LQTPIEYMBJPFQS-UHFFFAOYSA-N
- Formula
- C11H13ClO2S
- SMILES
- COC(=O)C(C)CSc1ccc(Cl)cc1
- Molecular Weight1
- 244.74
- CAS
- 55009-84-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4869 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.241 | Crippen Calculated Property | |
| McVol | 178.120 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Tboil | 574.35 | K | Relay (1.0) Calculated Property |
| Tc | 772.13 | K | Relay (1.0) Calculated Property |
| Tfus | 287.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.610 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.82; 490.12] | J/mol×K | [664.80; 900.59] | 
|
| Cp,gas | 423.82 | J/mol×K | 664.80 | Joback Calculated Property |
| Cp,gas | 437.25 | J/mol×K | 704.10 | Joback Calculated Property |
| Cp,gas | 449.70 | J/mol×K | 743.40 | Joback Calculated Property |
| Cp,gas | 461.20 | J/mol×K | 782.70 | Joback Calculated Property |
| Cp,gas | 471.76 | J/mol×K | 821.99 | Joback Calculated Property |
| Cp,gas | 481.40 | J/mol×K | 861.29 | Joback Calculated Property |
| Cp,gas | 490.12 | J/mol×K | 900.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3-(4-chlorophenylthio)-2-methylpropionate.
Sources
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