- InChI
- InChI=1S/C7H14S/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3
- InChI Key
- RKTPCTKFTDSWND-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CCCC1CCCS1
- Molecular Weight1
- 130.25
- CAS
- 1551-34-4
- Other Names
-
- 2-propyl-thiacyclopentane
- 2-Propyl-thiolane
- Thiolane, 2-propyl
- Thiophene, 2-propyltetrahydro
- Thiophene, tetrahydro, 2-propyl
- 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 | 0.2759 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.682 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [1013.00; 1077.00] |
|
|
| Inp | 1037.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Tboil | 449.44 | K | Relay (1.0) Calculated Property |
| Tc | 655.15 | K | Relay (1.0) Calculated Property |
| Tfus | 179.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.52; 302.76] | J/mol×K | [422.67; 633.29] |
|
| Cp,gas | 221.52 | J/mol×K | 422.67 | Joback Calculated Property |
| Cp,gas | 237.04 | J/mol×K | 457.77 | Joback Calculated Property |
| Cp,gas | 251.72 | J/mol×K | 492.88 | Joback Calculated Property |
| Cp,gas | 265.60 | J/mol×K | 527.98 | Joback Calculated Property |
| Cp,gas | 278.72 | J/mol×K | 563.08 | Joback Calculated Property |
| Cp,gas | 291.09 | J/mol×K | 598.18 | Joback Calculated Property |
| Cp,gas | 302.76 | J/mol×K | 633.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiophane, propyl-.
Sources
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