- InChI
- InChI=1S/C9H17NS/c1-2-3-4-5-6-9-10-7-8-11-9/h4-5,9-10H,2-3,6-8H2,1H3/b5-4-
- InChI Key
- GYYGBEACGNYVBC-PLNGDYQASA-N
- Formula
- C9H17NS
- SMILES
- CCCC=CCC1NCCS1
- Molecular Weight1
- 171.30
- 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 | 0.3518 | Relay (1.0) Calculated Property | |
| ΔfG° | 269.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 148.840 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Inp | 1381.00 | NIST | |
| Tboil | 514.92 | K | Relay (1.0) Calculated Property |
| Tc | 716.08 | K | Relay (1.0) Calculated Property |
| Tfus | 282.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.91; 424.62] | J/mol×K | [521.14; 742.34] | 
|
| Cp,gas | 335.91 | J/mol×K | 521.14 | Joback Calculated Property |
| Cp,gas | 353.05 | J/mol×K | 558.01 | Joback Calculated Property |
| Cp,gas | 369.18 | J/mol×K | 594.87 | Joback Calculated Property |
| Cp,gas | 384.35 | J/mol×K | 631.74 | Joback Calculated Property |
| Cp,gas | 398.62 | J/mol×K | 668.61 | Joback Calculated Property |
| Cp,gas | 412.03 | J/mol×K | 705.48 | Joback Calculated Property |
| Cp,gas | 424.62 | J/mol×K | 742.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((Z)-2-hexenyl)thiazolidine.
Sources
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