- InChI
- InChI=1S/C6H12S/c1-6(2)4-5-7-3/h1,4-5H2,2-3H3
- InChI Key
- UTEDUYINKYCEKZ-UHFFFAOYSA-N
- Formula
- C6H12S
- SMILES
- C=C(C)CCSC
- Molecular Weight1
- 116.22
- CAS
- 5952-75-0
- 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 | 0.2763 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.316 | Crippen Calculated Property | |
| McVol | 107.450 | ml/mol | McGowan Calculated Property |
| Pc | 3341.24 | kPa | Joback Calculated Property |
| I | [1191.00; 1191.00] |
|
|
| I | 1191.00 | NIST | |
| I | 1191.00 | NIST | |
| Tboil | 409.02 | K | Relay (1.0) Calculated Property |
| Tc | 596.15 | K | Relay (1.0) Calculated Property |
| Tfus | 175.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.59; 250.62] | J/mol×K | [402.02; 598.97] |
|
| Cp,gas | 191.59 | J/mol×K | 402.02 | Joback Calculated Property |
| Cp,gas | 202.58 | J/mol×K | 434.84 | Joback Calculated Property |
| Cp,gas | 213.09 | J/mol×K | 467.67 | Joback Calculated Property |
| Cp,gas | 223.14 | J/mol×K | 500.49 | Joback Calculated Property |
| Cp,gas | 232.74 | J/mol×K | 533.32 | Joback Calculated Property |
| Cp,gas | 241.89 | J/mol×K | 566.14 | Joback Calculated Property |
| Cp,gas | 250.62 | J/mol×K | 598.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «delta»-3-isopentenylmethyl sulfide.
Sources
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