- InChI
- InChI=1S/C18H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19-18/h18H,2-17H2,1H3
- InChI Key
- QAYAAJHVMVYEEP-UHFFFAOYSA-N
- Formula
- C18H36S
- SMILES
- CCCCCCCCCCCCCCC1CCCS1
- Molecular Weight1
- 284.54
- Other Names
-
- Thiolane, 2-tetradecyl
- 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 | 0.7268 | Relay (1.0) Calculated Property | |
| ΔfG° | 177.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.973 | Crippen Calculated Property | |
| McVol | 269.970 | ml/mol | McGowan Calculated Property |
| Pc | 1301.41 | kPa | Joback Calculated Property |
| Inp | [2199.00; 2200.00] |
|
|
| Inp | 2199.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2199.40 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2199.00 | NIST | |
| Tboil | 611.98 | K | Relay (1.0) Calculated Property |
| Tc | 809.37 | K | Relay (1.0) Calculated Property |
| Tfus | 289.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.030 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.64; 957.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.21370e+01 | |||
| Coefficient B | 1.85993e+00 | |||
| Coefficient C | -1.10150e-03 | |||
| Coefficient D | 2.51300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 378.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 479.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 568.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 648.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 718.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 780.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 834.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 881.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 922.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 957.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Tetradecylthiolane.
Sources
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