- InChI
- InChI=1S/C4H10S2/c1-4(2)6-5-3/h4H,1-3H3
- InChI Key
- MRCFHOIQEFOJEC-UHFFFAOYSA-N
- Formula
- C4H10S2
- SMILES
- CSSC(C)C
- Molecular Weight1
- 122.26
- Other Names
-
- Disulfide, methyl 1-methylethyl
- Methyl i-propyl disulfide
- Methyl isopropyl disulfide
- 2-Methyl-3,4-dithiapentane
- Isopropyl methyl disulfide
- Disulfide, isopropyl methyl
- isopropyl methyl disulphide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2483 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -79.10 | kJ/mol | NIST |
| ΔfusH° | 10.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.406 | Crippen Calculated Property | |
| McVol | 99.920 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Inp | [899.00; 906.00] |
|
|
| Inp | 906.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 899.00 | NIST | |
| Ip | [1192.00; 1221.00] |
|
|
| Ip | 1192.00 | NIST | |
| Ip | 1192.00 | NIST | |
| Ip | 1192.00 | NIST | |
| Ip | 1221.00 | NIST | |
| Ip | 1192.00 | NIST | |
| Tboil | 410.40 | K | Relay (1.0) Calculated Property |
| Tc | 630.19 | K | Relay (1.0) Calculated Property |
| Tfus | 176.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.03; 279.41] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.67700e+01 | |||
| Coefficient B | 3.78540e-01 | |||
| Coefficient C | -1.16600e-04 | |||
| Coefficient D | -1.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 198.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 216.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 233.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 248.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 260.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 271.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 279.41 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to METHYL ISOPROPYL DISULPHIDE.
Sources
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