- InChI
- InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
- InChI Key
- ALVPFGSHPUPROW-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCCSSCCC
- Molecular Weight1
- 150.31
- CAS
- 629-19-6
- Other Names
-
- (n-C3H7S)2
- 1-(Propyldisulfanyl)propane
- 4,5-Dithiaoctane
- DI-N-PROPYLDISULFIDE
- Dipropyl disulfide
- Dipropyl disulphide
- NSC 75122
- Propyl disulfide
- di-n-Propyl disulfide
- n-Propyl disulfide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5395.06 ± 0.71 | kJ/mol | NIST |
| ΔfH°gas | -117.30 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -171.50 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 19.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.14; 54.20] | kJ/mol |
|
| ΔvapH° | Outlier 53.14 | kJ/mol | NIST |
| ΔvapH° | 53.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 53.80 | kJ/mol | NIST |
| ΔvapH° | 54.14 ± 0.42 | kJ/mol | NIST |
| ΔvapH° | 54.20 | kJ/mol | NIST |
| ΔvapH° | 54.14 ± 0.42 | kJ/mol | NIST |
| ΔvapH° | 54.20 | kJ/mol | NIST |
| IE | [8.62; 8.62] | eV |
|
| IE | 8.62 | eV | NIST |
| IE | 8.62 | eV | NIST |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.188 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Inp | [1082.00; 1118.40] |
|
|
| Inp | 1110.90 | NIST | |
| Inp | 1118.40 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1104.60 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1083.90 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1092.00 | NIST | |
| I | [1356.00; 1421.00] |
|
|
| I | 1398.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1365.00 | NIST | |
| I | Outlier 1421.00 | NIST | |
| I | 1387.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1375.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1375.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1375.00 | NIST | |
| S°liquid | 373.55 | J/mol×K | NIST |
| Tboil | [468.00; 468.70] | K |
|
| Tboil | 468.70 | K | NIST |
| Tboil | 468.00 ± 1.70 | K | NIST |
| Tc | 666.70 | K | Relay (1.0) Calculated Property |
| Tfus | 187.60 ± 0.20 | K | NIST |
| Ttriple | [187.66; 187.66] | K |
|
| Ttriple | 187.66 ± 0.01 | K | NIST |
| Ttriple | 187.66 ± 0.01 | K | NIST |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 262.46 | J/mol×K | 298.15 | NIST |
| ΔfusH | [13.81; 13.81] | kJ/mol | [187.66; 187.70] |
|
| ΔfusH | 13.81 | kJ/mol | 187.66 | NIST |
| ΔfusH | 13.81 | kJ/mol | 187.66 | NIST |
| ΔfusH | 13.81 | kJ/mol | 187.70 | NIST |
| ΔfusH | 13.81 | kJ/mol | 187.70 | NIST |
| ΔvapH | [46.60; 47.80] | kJ/mol | [418.00; 426.50] |
|
| ΔvapH | 47.00 | kJ/mol | 418.00 | NIST |
| ΔvapH | 47.00 | kJ/mol | 418.00 | NIST |
| ΔvapH | 46.60 | kJ/mol | 425.50 | NIST |
| ΔvapH | 47.80 | kJ/mol | 426.50 | NIST |
| ΔfusS | [73.57; 73.57] | J/mol×K | [187.66; 187.66] |
|
| ΔfusS | 73.57 | J/mol×K | 187.66 | NIST |
| ΔfusS | 73.57 | J/mol×K | 187.66 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.77; 382.05] | 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 | 3.66340e+01 | |||
| Coefficient B | 5.62620e-01 | |||
| Coefficient C | -2.22200e-04 | |||
| Coefficient D | 5.00000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 294.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 317.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 369.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 382.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [346.65; 500.08] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35944e+01 | |||
| Coefficient B | -3.36629e+03 | |||
| Coefficient C | -9.36720e+01 | |||
| Temperature range, min. | 346.65 | |||
| Temperature range, max. | 500.08 | |||
| Pvap | 1.33 | kPa | 346.65 | Calculated Property |
| Pvap | 3.09 | kPa | 363.70 | Calculated Property |
| Pvap | 6.48 | kPa | 380.75 | Calculated Property |
| Pvap | 12.50 | kPa | 397.79 | Calculated Property |
| Pvap | 22.49 | kPa | 414.84 | Calculated Property |
| Pvap | 38.14 | kPa | 431.89 | Calculated Property |
| Pvap | 61.50 | kPa | 448.94 | Calculated Property |
| Pvap | 94.90 | kPa | 465.98 | Calculated Property |
| Pvap | 141.00 | kPa | 483.03 | Calculated Property |
| Pvap | 202.64 | kPa | 500.08 | Calculated Property |
| Pvap | [1.37; 207.64] | kPa | [346.15; 501.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.10903e+02 | |||
| Coefficient B | -1.03145e+04 | |||
| Coefficient C | -1.39703e+01 | |||
| Coefficient D | 7.43052e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 346.15 | |||
| Temperature range, max. | 501.15 | |||
| Pvap | 1.37 | kPa | 346.15 | Calculated Property |
| Pvap | 3.12 | kPa | 363.37 | Calculated Property |
| Pvap | 6.49 | kPa | 380.59 | Calculated Property |
| Pvap | 12.50 | kPa | 397.82 | Calculated Property |
| Pvap | 22.49 | kPa | 415.04 | Calculated Property |
| Pvap | 38.24 | kPa | 432.26 | Calculated Property |
| Pvap | 61.88 | kPa | 449.48 | Calculated Property |
| Pvap | 95.96 | kPa | 466.71 | Calculated Property |
| Pvap | 143.43 | kPa | 483.93 | Calculated Property |
| Pvap | 207.64 | kPa | 501.15 | Calculated Property |
| Pvap | [9.58; 57.82] | kPa | [390.62; 447.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40455e+01 | |||
| Coefficient B | -3.69237e+03 | |||
| Coefficient C | -7.73250e+01 | |||
| Reference | Hubbard, Douslin, et al., 1958 | |||
| Temperature range, min. | 390.62 | |||
| Temperature range, max. | 447.00 | |||
| Pvap | 9.58 | kPa | 390.62 | Calculated Property |
| Pvap | 12.07 | kPa | 396.88 | Calculated Property |
| Pvap | 15.08 | kPa | 403.15 | Calculated Property |
| Pvap | 18.67 | kPa | 409.41 | Calculated Property |
| Pvap | 22.94 | kPa | 415.68 | Calculated Property |
| Pvap | 27.97 | kPa | 421.94 | Calculated Property |
| Pvap | 33.86 | kPa | 428.21 | Calculated Property |
| Pvap | 40.73 | kPa | 434.47 | Calculated Property |
| Pvap | 48.67 | kPa | 440.74 | Calculated Property |
| Pvap | 57.82 | kPa | 447.00 | Calculated Property |
| Pvap | [9.58; 57.82] | kPa | [390.62; 447.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40455e+01 | |||
| Coefficient B | -3.69237e+03 | |||
| Coefficient C | -7.73250e+01 | |||
| Reference | Hubbard, Douslin, et al., 1958, 2 | |||
| Temperature range, min. | 390.62 | |||
| Temperature range, max. | 447.00 | |||
| Pvap | 9.58 | kPa | 390.62 | Calculated Property |
| Pvap | 12.07 | kPa | 396.88 | Calculated Property |
| Pvap | 15.08 | kPa | 403.15 | Calculated Property |
| Pvap | 18.67 | kPa | 409.41 | Calculated Property |
| Pvap | 22.94 | kPa | 415.68 | Calculated Property |
| Pvap | 27.97 | kPa | 421.94 | Calculated Property |
| Pvap | 33.86 | kPa | 428.21 | Calculated Property |
| Pvap | 40.73 | kPa | 434.47 | Calculated Property |
| Pvap | 48.67 | kPa | 440.74 | Calculated Property |
| Pvap | 57.82 | kPa | 447.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, dipropyl.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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