- InChI
- InChI=1S/C7H14OS/c1-5(2)7-8-6(3)4-9-7/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
- InChI Key
- ODRUEFNMTNWJNO-NKWVEPMBSA-N
- Formula
- C7H14OS
- SMILES
- CC1CSC(C(C)C)O1
- Molecular Weight1
- 146.25
- CAS
- 38384-67-7
- 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).
- 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° | -11.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.10 | Crippen Calculated Property | |
| logPoct/wat | 2.120 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 444.51 | K | Joback Calculated Property |
| Tc | 659.36 | K | Joback Calculated Property |
| Tfus | 270.33 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.16; 335.04] | J/mol×K | [444.51; 659.36] | 
|
| Cp,gas | 252.16 | J/mol×K | 444.51 | Joback Calculated Property |
| Cp,gas | 267.93 | J/mol×K | 480.32 | Joback Calculated Property |
| Cp,gas | 282.89 | J/mol×K | 516.13 | Joback Calculated Property |
| Cp,gas | 297.06 | J/mol×K | 551.94 | Joback Calculated Property |
| Cp,gas | 310.46 | J/mol×K | 587.75 | Joback Calculated Property |
| Cp,gas | 323.11 | J/mol×K | 623.56 | Joback Calculated Property |
| Cp,gas | 335.04 | J/mol×K | 659.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Isopropyl-5-methyl-1,3-oxathiolane.
Sources
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