- InChI
- InChI=1S/C9H17NS/c1-4-5-6-9-10-7(2)8(3)11-9/h8-9H,4-6H2,1-3H3/t8-,9-/m0/s1
- InChI Key
- AZBKKBJOXUCAPP-IUCAKERBSA-N
- Formula
- C9H17NS
- SMILES
- CCCCC1N=C(C)C(C)S1
- Molecular Weight1
- 171.30
- 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° | 230.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 3.099 | Crippen Calculated Property | |
| McVol | 148.840 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Inp | [1303.00; 1308.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1303.00 | NIST | |
| I | 1683.00 | NIST | |
| Tboil | 521.60 | K | Joback Calculated Property |
| Tc | 739.88 | K | Joback Calculated Property |
| Tfus | 366.12 | K | Joback Calculated Property |
| Vc | 0.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.20; 448.35] | J/mol×K | [521.60; 739.88] |
|
| Cp,gas | 354.20 | J/mol×K | 521.60 | Joback Calculated Property |
| Cp,gas | 372.14 | J/mol×K | 557.98 | Joback Calculated Property |
| Cp,gas | 389.16 | J/mol×K | 594.36 | Joback Calculated Property |
| Cp,gas | 405.29 | J/mol×K | 630.74 | Joback Calculated Property |
| Cp,gas | 420.52 | J/mol×K | 667.12 | Joback Calculated Property |
| Cp,gas | 434.87 | J/mol×K | 703.50 | Joback Calculated Property |
| Cp,gas | 448.35 | J/mol×K | 739.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-butyl-4,5-dimethyl-3-thiazoline, trans.
Sources
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