- InChI
- InChI=1S/C15H24S/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3
- InChI Key
- HVLGGQYBXOJMLO-UHFFFAOYSA-N
- Formula
- C15H24S
- SMILES
- C=C1CCC2SC1C1C(C(C)C)CCC21C
- Molecular Weight1
- 236.42
- CAS
- 72445-42-2
- 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 | 0.3436 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.509 | Crippen Calculated Property | |
| McVol | 201.680 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | 1743.50 | NIST | |
| Tboil | 566.90 | K | Relay (1.0) Calculated Property |
| Tc | 815.43 | K | Relay (1.0) Calculated Property |
| Tfus | 322.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.71; 679.65] | J/mol×K | [608.81; 839.95] | 
|
| Cp,gas | 559.71 | J/mol×K | 608.81 | Joback Calculated Property |
| Cp,gas | 582.66 | J/mol×K | 647.33 | Joback Calculated Property |
| Cp,gas | 604.14 | J/mol×K | 685.86 | Joback Calculated Property |
| Cp,gas | 624.36 | J/mol×K | 724.38 | Joback Calculated Property |
| Cp,gas | 643.55 | J/mol×K | 762.90 | Joback Calculated Property |
| Cp,gas | 661.91 | J/mol×K | 801.43 | Joback Calculated Property |
| Cp,gas | 679.65 | J/mol×K | 839.95 | Joback Calculated Property |
Similar Compounds
Sources
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