- InChI
- InChI=1S/C12H23NS/c1-4-6-7-8-9-12-13-11(5-2)10(3)14-12/h10,12H,4-9H2,1-3H3/t10-,12-/m0/s1
- InChI Key
- YNMIAYYDICMIHA-JQWIXIFHSA-N
- Formula
- C12H23NS
- SMILES
- CCCCCCC1N=C(CC)C(C)S1
- Molecular Weight1
- 213.38
- 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.
- 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 | 0.4741 | Relay (1.0) Calculated Property | |
| ΔfG° | 255.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.269 | Crippen Calculated Property | |
| McVol | 191.110 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [1581.00; 1585.00] |
|
|
| Inp | 1585.00 | NIST | |
| Inp | 1581.00 | NIST | |
| I | 1923.00 | NIST | |
| Tboil | 516.45 | K | Relay (1.0) Calculated Property |
| Tc | 744.59 | K | Relay (1.0) Calculated Property |
| Tfus | 285.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.26; 607.00] | J/mol×K | [590.24; 797.96] |
|
| Cp,gas | 503.26 | J/mol×K | 590.24 | Joback Calculated Property |
| Cp,gas | 523.09 | J/mol×K | 624.86 | Joback Calculated Property |
| Cp,gas | 541.88 | J/mol×K | 659.48 | Joback Calculated Property |
| Cp,gas | 559.65 | J/mol×K | 694.10 | Joback Calculated Property |
| Cp,gas | 576.42 | J/mol×K | 728.72 | Joback Calculated Property |
| Cp,gas | 592.19 | J/mol×K | 763.34 | Joback Calculated Property |
| Cp,gas | 607.00 | J/mol×K | 797.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-ethyl-2-hexyl-5-methyl-3-thiazoline, trans.
Sources
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