- InChI
- InChI=1S/C17H26S/c1-3-5-7-14-12-9-13-11-16(14)18-17(10-12)15(13)8-6-4-2/h7-8,12-13,16-17H,3-6,9-11H2,1-2H3/b14-7+,15-8+
- InChI Key
- OSTAESXMEDMFTD-IROCBMIISA-N
- Formula
- C17H26S
- SMILES
- CCCC=C1C2CC3CC1SC(C2)C3=CCCC
- Molecular Weight1
- 262.45
- 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 | 0.4207 | Relay (1.0) Calculated Property | |
| ΔfG° | 385.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.353 | Crippen Calculated Property | |
| McVol | 225.560 | ml/mol | McGowan Calculated Property |
| Pc | 1713.19 | kPa | Joback Calculated Property |
| Inp | [1962.00; 2030.00] |
|
|
| Inp | 1962.00 | NIST | |
| Inp | 1973.00 | NIST | |
| Inp | 1983.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 589.36 | K | Relay (1.0) Calculated Property |
| Tc | 849.50 | K | Relay (1.0) Calculated Property |
| Tfus | 406.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.04; 755.26] | J/mol×K | [669.29; 883.59] |
|
| Cp,gas | 648.04 | J/mol×K | 669.29 | Joback Calculated Property |
| Cp,gas | 668.58 | J/mol×K | 705.01 | Joback Calculated Property |
| Cp,gas | 687.89 | J/mol×K | 740.72 | Joback Calculated Property |
| Cp,gas | 706.09 | J/mol×K | 776.44 | Joback Calculated Property |
| Cp,gas | 723.31 | J/mol×K | 812.16 | Joback Calculated Property |
| Cp,gas | 739.66 | J/mol×K | 847.87 | Joback Calculated Property |
| Cp,gas | 755.26 | J/mol×K | 883.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,8-dibutylidene-2-thiaadamantane.
Sources
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