- InChI
- InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5+
- InChI Key
- SPANOECCGNXGNR-WEVVVXLNSA-N
- Formula
- C10H17Cl2NOS
- SMILES
- CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C
- Molecular Weight1
- 270.22
- CAS
- 17708-57-5
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.4516 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.277 | Crippen Calculated Property | |
| McVol | 199.840 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| I | [2322.00; 2322.00] |
|
|
| I | 2322.00 | NIST | |
| I | 2322.00 | NIST | |
| Tboil | 530.54 | K | Relay (1.0) Calculated Property |
| Tc | 749.07 | K | Relay (1.0) Calculated Property |
| Tfus | 313.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.54; 542.93] | J/mol×K | [641.31; 857.18] |
|
| Cp,gas | 472.54 | J/mol×K | 641.31 | Joback Calculated Property |
| Cp,gas | 486.39 | J/mol×K | 677.29 | Joback Calculated Property |
| Cp,gas | 499.32 | J/mol×K | 713.27 | Joback Calculated Property |
| Cp,gas | 511.40 | J/mol×K | 749.25 | Joback Calculated Property |
| Cp,gas | 522.66 | J/mol×K | 785.22 | Joback Calculated Property |
| Cp,gas | 533.15 | J/mol×K | 821.20 | Joback Calculated Property |
| Cp,gas | 542.93 | J/mol×K | 857.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Diallate.
Sources
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