- InChI
- InChI=1S/C13H26O2S/c1-3-4-5-6-7-8-10-13(14)15-11-9-12-16-2/h3-12H2,1-2H3
- InChI Key
- PPVJDHJFJZVMPX-UHFFFAOYSA-N
- Formula
- C13H26O2S
- SMILES
- CCCCCCCCC(=O)OCCCSC
- Molecular Weight1
- 246.41
- 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 | 0.7289 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.033 | Crippen Calculated Property | |
| McVol | 217.820 | ml/mol | McGowan Calculated Property |
| Pc | 1731.78 | kPa | Joback Calculated Property |
| Inp | 1819.00 | NIST | |
| Tboil | 572.20 | K | Relay (1.0) Calculated Property |
| Tc | 745.91 | K | Relay (1.0) Calculated Property |
| Tfus | 266.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.808 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.79; 665.74] | J/mol×K | [641.91; 825.75] | 
|
| Cp,gas | 578.79 | J/mol×K | 641.91 | Joback Calculated Property |
| Cp,gas | 595.17 | J/mol×K | 672.55 | Joback Calculated Property |
| Cp,gas | 610.78 | J/mol×K | 703.19 | Joback Calculated Property |
| Cp,gas | 625.64 | J/mol×K | 733.83 | Joback Calculated Property |
| Cp,gas | 639.74 | J/mol×K | 764.47 | Joback Calculated Property |
| Cp,gas | 653.10 | J/mol×K | 795.11 | Joback Calculated Property |
| Cp,gas | 665.74 | J/mol×K | 825.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Methylthio)propyl nonanoate.
Sources
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