- InChI
- InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3
- InChI Key
- VITWKRWSBFUVDT-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CCCCSSCCC
- Molecular Weight1
- 164.34
- Other Names
-
- 4,5-Dithianonane
- Butyl propyl disulfide
- Disulfide, butyl propyl
- propyl butyl disulfide
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.3884 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.578 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1207.00; 1212.00] |
|
|
| Inp | 1207.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Ip | [1493.00; 1540.00] |
|
|
| Ip | 1515.00 | NIST | |
| Ip | 1493.00 | NIST | |
| Ip | 1540.00 | NIST | |
| Ip | 1540.00 | NIST | |
| Ip | 1493.00 | NIST | |
| Tboil | 484.58 | K | Relay (1.0) Calculated Property |
| Tc | 686.74 | K | Relay (1.0) Calculated Property |
| Tfus | 198.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.98; 433.64] | 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 | 3.57250e+01 | |||
| Coefficient B | 6.57620e-01 | |||
| Coefficient C | -2.76600e-04 | |||
| Coefficient D | 1.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 270.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 333.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 359.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 382.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 402.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 419.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 433.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [364.52; 514.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49587e+01 | |||
| Coefficient B | -4.22036e+03 | |||
| Coefficient C | -7.68560e+01 | |||
| Temperature range, min. | 364.52 | |||
| Temperature range, max. | 514.32 | |||
| Pvap | 1.33 | kPa | 364.52 | Calculated Property |
| Pvap | 2.97 | kPa | 381.16 | Calculated Property |
| Pvap | 6.11 | kPa | 397.81 | Calculated Property |
| Pvap | 11.68 | kPa | 414.45 | Calculated Property |
| Pvap | 21.01 | kPa | 431.10 | Calculated Property |
| Pvap | 35.86 | kPa | 447.74 | Calculated Property |
| Pvap | 58.46 | kPa | 464.39 | Calculated Property |
| Pvap | 91.54 | kPa | 481.03 | Calculated Property |
| Pvap | 138.35 | kPa | 497.68 | Calculated Property |
| Pvap | 202.63 | kPa | 514.32 | Calculated Property |
Similar Compounds
Find more compounds similar to N-PROPYL N-BUTYL DISULPHIDE.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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