- InChI
- InChI=1S/C10H20O2S/c1-3-4-5-7-10(11)12-8-6-9-13-2/h3-9H2,1-2H3
- InChI Key
- NZDCNAMVIRTJPL-UHFFFAOYSA-N
- Formula
- C10H20O2S
- SMILES
- CCCCCC(=O)OCCCSC
- Molecular Weight1
- 204.33
- 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 | 0.6194 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.863 | Crippen Calculated Property | |
| McVol | 175.550 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| I | 1973.00 | NIST | |
| Tboil | 530.56 | K | Relay (1.0) Calculated Property |
| Tc | 707.38 | K | Relay (1.0) Calculated Property |
| Tfus | 243.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.53; 503.40] | J/mol×K | [573.27; 762.70] | 
|
| Cp,gas | 425.53 | J/mol×K | 573.27 | Joback Calculated Property |
| Cp,gas | 440.09 | J/mol×K | 604.84 | Joback Calculated Property |
| Cp,gas | 454.02 | J/mol×K | 636.41 | Joback Calculated Property |
| Cp,gas | 467.31 | J/mol×K | 667.99 | Joback Calculated Property |
| Cp,gas | 479.97 | J/mol×K | 699.56 | Joback Calculated Property |
| Cp,gas | 492.00 | J/mol×K | 731.13 | Joback Calculated Property |
| Cp,gas | 503.40 | J/mol×K | 762.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(methylthio)propyl hexanoate.
Sources
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