- InChI
- InChI=1S/C13H25NS/c1-4-6-7-8-9-10-13-14-12(5-2)11(3)15-13/h11,13H,4-10H2,1-3H3/t11-,13-/m0/s1
- InChI Key
- VHLVMEQNZOXCMH-AAEUAGOBSA-N
- Formula
- C13H25NS
- SMILES
- CCCCCCCC1N=C(CC)C(C)S1
- Molecular Weight1
- 227.41
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 264.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -108.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.659 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [1685.00; 1691.00] |
|
|
| Inp | 1691.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1691.00 | NIST | |
| I | 2030.00 | NIST | |
| Tboil | 613.12 | K | Joback Calculated Property |
| Tc | 817.68 | K | Joback Calculated Property |
| Tfus | 411.20 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.11; 661.92] | J/mol×K | [613.12; 817.68] |
|
| Cp,gas | 556.11 | J/mol×K | 613.12 | Joback Calculated Property |
| Cp,gas | 576.35 | J/mol×K | 647.21 | Joback Calculated Property |
| Cp,gas | 595.53 | J/mol×K | 681.31 | Joback Calculated Property |
| Cp,gas | 613.65 | J/mol×K | 715.40 | Joback Calculated Property |
| Cp,gas | 630.75 | J/mol×K | 749.49 | Joback Calculated Property |
| Cp,gas | 646.83 | J/mol×K | 783.59 | Joback Calculated Property |
| Cp,gas | 661.92 | J/mol×K | 817.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-ethyl-2-heptyl-5-methyl-3-thiazoline, trans.
Sources
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