- InChI
- InChI=1S/C14H17ClO3S/c1-4-14(5-2,12(15)16)13(17)18-10-8-6-7-9-11(10)19-3/h6-9H,4-5H2,1-3H3
- InChI Key
- QOYLFIHGOKUTSU-UHFFFAOYSA-N
- Formula
- C14H17ClO3S
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1
SC - Molecular Weight1
- 300.80
- 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).
- 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° | -169.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.886 | Crippen Calculated Property | |
| McVol | 221.960 | ml/mol | McGowan Calculated Property |
| Pc | 2187.68 | kPa | Joback Calculated Property |
| Inp | 2045.00 | NIST | |
| Tboil | 784.52 | K | Joback Calculated Property |
| Tc | 1020.45 | K | Joback Calculated Property |
| Tfus | 475.31 | K | Joback Calculated Property |
| Vc | 0.834 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.38; 656.90] | J/mol×K | [784.52; 1020.45] | 
|
| Cp,gas | 594.38 | J/mol×K | 784.52 | Joback Calculated Property |
| Cp,gas | 607.48 | J/mol×K | 823.84 | Joback Calculated Property |
| Cp,gas | 619.45 | J/mol×K | 863.16 | Joback Calculated Property |
| Cp,gas | 630.32 | J/mol×K | 902.48 | Joback Calculated Property |
| Cp,gas | 640.15 | J/mol×K | 941.80 | Joback Calculated Property |
| Cp,gas | 648.99 | J/mol×K | 981.12 | Joback Calculated Property |
| Cp,gas | 656.90 | J/mol×K | 1020.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2-methylthiophenyl ester.
Sources
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