- InChI
- InChI=1S/C9H18S/c1-2-3-4-5-9-6-7-10-8-9/h9H,2-8H2,1H3
- InChI Key
- PTJARFWPUNOHQM-UHFFFAOYSA-N
- Formula
- C9H18S
- SMILES
- CCCCCC1CCSC1
- Molecular Weight1
- 158.31
- Other Names
-
- 3-Pentyltetrahydrothiophene
- Thiolane, 3-pentyl
- 3-Amylthiophane
- 3-Pentylthiophane
- Thiophene, tetrahydro-3-pentyl-
- Thiolane, 2-pentyl
- 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 | 0.3686 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.320 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Inp | [1238.00; 1238.00] |
|
|
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Tboil | 494.69 | K | Relay (1.0) Calculated Property |
| Tc | 704.71 | K | Relay (1.0) Calculated Property |
| Tfus | 226.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.72; 493.27] | 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 | -4.39560e+01 | |||
| Coefficient B | 1.00493e+00 | |||
| Coefficient C | -6.11900e-04 | |||
| Coefficient D | 1.44200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 241.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 289.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 331.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 400.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 428.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 453.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 474.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 493.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophane, 3-pentyl-.
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