- InChI
- InChI=1S/C7H16S/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
- InChI Key
- OPLGIZOGDFCNCU-UHFFFAOYSA-N
- Formula
- C7H16S
- SMILES
- CCCC(S)CCC
- Molecular Weight1
- 132.27
- CAS
- ---
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- I : 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 |
|---|---|---|---|
| ΔfG° | 35.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.885 | Crippen Calculated Property | |
| McVol | 125.840 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| I | [1140.90; 1144.10] |
|
|
| I | 1144.10 | NIST | |
| I | 1140.90 | NIST | |
| I | 1144.10 | NIST | |
| Tboil | 421.98 | K | Joback Calculated Property |
| Tc | 613.54 | K | Joback Calculated Property |
| Tfus | 190.11 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.65; 314.27] | J/mol×K | [421.98; 613.54] |
|
| Cp,gas | 243.65 | J/mol×K | 421.98 | Joback Calculated Property |
| Cp,gas | 256.79 | J/mol×K | 453.91 | Joback Calculated Property |
| Cp,gas | 269.35 | J/mol×K | 485.83 | Joback Calculated Property |
| Cp,gas | 281.37 | J/mol×K | 517.76 | Joback Calculated Property |
| Cp,gas | 292.85 | J/mol×K | 549.69 | Joback Calculated Property |
| Cp,gas | 303.81 | J/mol×K | 581.61 | Joback Calculated Property |
| Cp,gas | 314.27 | J/mol×K | 613.54 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [327.80; 477.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42424e+01 | |||
| Coefficient B | -3.70904e+03 | |||
| Coefficient C | -6.20100e+01 | |||
| Temperature range, min. | 327.80 | |||
| Temperature range, max. | 477.31 | |||
| Pvap | 1.33 | kPa | 327.80 | Calculated Property |
| Pvap | 3.03 | kPa | 344.41 | Calculated Property |
| Pvap | 6.29 | kPa | 361.02 | Calculated Property |
| Pvap | 12.07 | kPa | 377.64 | Calculated Property |
| Pvap | 21.73 | kPa | 394.25 | Calculated Property |
| Pvap | 36.98 | kPa | 410.86 | Calculated Property |
| Pvap | 59.95 | kPa | 427.47 | Calculated Property |
| Pvap | 93.21 | kPa | 444.09 | Calculated Property |
| Pvap | 139.67 | kPa | 460.70 | Calculated Property |
| Pvap | 202.64 | kPa | 477.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-heptanethiol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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