- InChI
- InChI=1S/C10H14S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h7-10H,1-5H2
- InChI Key
- YBMSHDNMHSMINO-UHFFFAOYSA-N
- Formula
- C10H14S
- SMILES
- C=C1C2CC3CC(C2)SC1C3
- Molecular Weight1
- 166.28
- 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 | 0.2808 | Relay (1.0) Calculated Property | |
| ΔfG° | 288.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.847 | Crippen Calculated Property | |
| McVol | 131.230 | ml/mol | McGowan Calculated Property |
| Pc | 3145.56 | kPa | Joback Calculated Property |
| Inp | [1462.00; 1484.00] |
|
|
| Inp | 1462.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Tboil | 525.67 | K | Relay (1.0) Calculated Property |
| Tc | 782.84 | K | Relay (1.0) Calculated Property |
| Tfus | 467.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.70; 403.14] | J/mol×K | [495.01; 725.07] |
|
| Cp,gas | 308.70 | J/mol×K | 495.01 | Joback Calculated Property |
| Cp,gas | 327.61 | J/mol×K | 533.35 | Joback Calculated Property |
| Cp,gas | 345.10 | J/mol×K | 571.70 | Joback Calculated Property |
| Cp,gas | 361.29 | J/mol×K | 610.04 | Joback Calculated Property |
| Cp,gas | 376.29 | J/mol×K | 648.39 | Joback Calculated Property |
| Cp,gas | 390.20 | J/mol×K | 686.73 | Joback Calculated Property |
| Cp,gas | 403.14 | J/mol×K | 725.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methylene-2-thiaadamantane.
Sources
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