- InChI
- InChI=1S/C7H14OS/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3
- InChI Key
- FYGCGLKHZOKOQI-UHFFFAOYSA-N
- Formula
- C7H14OS
- SMILES
- CC(C)CC1OCCS1
- Molecular Weight1
- 146.25
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3278 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.122 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | [1066.00; 1119.00] |
|
|
| Inp | 1079.00 | NIST | |
| Inp | 1086.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Tboil | 456.19 | K | Relay (1.0) Calculated Property |
| Tc | 664.46 | K | Relay (1.0) Calculated Property |
| Tfus | 225.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.59; 332.12] | J/mol×K | [449.18; 664.36] |
|
| Cp,gas | 251.59 | J/mol×K | 449.18 | Joback Calculated Property |
| Cp,gas | 267.04 | J/mol×K | 485.04 | Joback Calculated Property |
| Cp,gas | 281.63 | J/mol×K | 520.91 | Joback Calculated Property |
| Cp,gas | 295.41 | J/mol×K | 556.77 | Joback Calculated Property |
| Cp,gas | 308.39 | J/mol×K | 592.64 | Joback Calculated Property |
| Cp,gas | 320.62 | J/mol×K | 628.50 | Joback Calculated Property |
| Cp,gas | 332.12 | J/mol×K | 664.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isobutyl-1,3-oxothiolane.
Sources
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