- InChI
- InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3
- InChI Key
- SNGRPWPVGSSZGV-UHFFFAOYSA-N
- Formula
- C5H12S2
- SMILES
- CCCSSCC
- Molecular Weight1
- 136.28
- CAS
- 30453-31-7
- Other Names
-
- 1-(Ethyldisulfanyl)propane
- 3,4-Dithiaheptane
- Disulfide, ethyl propyl
- Ethyl n-propyl disulphide
- Ethyl propyl disulfide
- Ethyl propyl disulphide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- VCOSTALD : COSTALD Characteristic Volume (m3/kmol).
- ωSRK : SRK acentric factor.
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3910 | ChemSep v8.3 pure component data Compiled value | |
| μ | 2.31 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 27.96 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -96.25 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 16.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.798 | Crippen Calculated Property | |
| McVol | 114.010 | ml/mol | McGowan Calculated Property |
| Pc | 3612.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 2.00e-08 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [996.00; 1026.00] |
|
|
| Inp | 1026.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Ip | [1289.00; 1339.00] |
|
|
| Ip | 1322.00 | NIST | |
| Ip | 1289.00 | NIST | |
| Ip | 1339.00 | NIST | |
| Ip | 1322.00 | NIST | |
| Tboil | [446.00; 446.85] | K |
|
| Tboil | 446.85 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 446.00 ± 1.50 | K | NIST |
| Tc | 660.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 165.00 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 165.00 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 4.36 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.25 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.417 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| VCOSTALD | 0.44 | m3/kmol | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
| ωSRK | 0.39 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zc | 0.2740000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | [0.27; 0.27] |
|
|
| Zra | 0.27 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zra | 0.27 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 44.00 | kJ/mol | 393.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.37; 396.46] | J/mol×K | [273.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.05720e+02 | |||
| Coefficient B | -5.73790e+02 | |||
| Coefficient C | 5.94924e+00 | |||
| Coefficient D | 5.83440e-05 | |||
| Coefficient E | 8.08030e-09 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 153.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.53 | J/mol×K | 409.33 | Calculated Property |
| Cp,gas | 244.37 | J/mol×K | 545.67 | Calculated Property |
| Cp,gas | 278.40 | J/mol×K | 682.00 | Calculated Property |
| Cp,gas | 306.30 | J/mol×K | 818.33 | Calculated Property |
| Cp,gas | 329.64 | J/mol×K | 954.67 | Calculated Property |
| Cp,gas | 349.58 | J/mol×K | 1091.00 | Calculated Property |
| Cp,gas | 366.98 | J/mol×K | 1227.33 | Calculated Property |
| Cp,gas | 382.46 | J/mol×K | 1363.67 | Calculated Property |
| Cp,gas | 396.46 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [216.14; 275.42] | J/mol×K | [165.00; 446.85] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 2.23630e+02 | |||
| Coefficient B | -1.39830e-01 | |||
| Coefficient C | 5.72320e-04 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 446.85 | |||
| Cp,liquid | 216.14 | J/mol×K | 165.00 | Calculated Property |
| Cp,liquid | 218.24 | J/mol×K | 196.32 | Calculated Property |
| Cp,liquid | 221.46 | J/mol×K | 227.63 | Calculated Property |
| Cp,liquid | 225.80 | J/mol×K | 258.95 | Calculated Property |
| Cp,liquid | 231.26 | J/mol×K | 290.27 | Calculated Property |
| Cp,liquid | 237.85 | J/mol×K | 321.58 | Calculated Property |
| Cp,liquid | 245.56 | J/mol×K | 352.90 | Calculated Property |
| Cp,liquid | 254.39 | J/mol×K | 384.22 | Calculated Property |
| Cp,liquid | 264.35 | J/mol×K | 415.53 | Calculated Property |
| Cp,liquid | 275.42 | J/mol×K | 446.85 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0745993; 0.0001972] | Pa×s | [165.00; 560.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -3.78700e+01 | |||
| Coefficient B | 2.33480e+03 | |||
| Coefficient C | 4.15640e+00 | |||
| Coefficient D | -3.60990e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 560.00 | |||
| η | 0.0745993 | Pa×s | 165.00 | Calculated Property |
| η | 0.0095844 | Pa×s | 208.89 | Calculated Property |
| η | 0.0028264 | Pa×s | 252.78 | Calculated Property |
| η | 0.0012852 | Pa×s | 296.67 | Calculated Property |
| η | 0.0007476 | Pa×s | 340.56 | Calculated Property |
| η | 0.0005043 | Pa×s | 384.44 | Calculated Property |
| η | 0.0003730 | Pa×s | 428.33 | Calculated Property |
| η | 0.0002923 | Pa×s | 472.22 | Calculated Property |
| η | 0.0002375 | Pa×s | 516.11 | Calculated Property |
| η | 0.0001972 | Pa×s | 560.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [52.12; 0.00] | kJ/mol | [165.00; 660.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 5.97820e+01 | |||
| Coefficient B | 6.34270e-01 | |||
| Coefficient C | -7.47570e-01 | |||
| Coefficient D | 4.72750e-01 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 6.60000e+02 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 660.00 | |||
| ΔvapH | 52.12 | kJ/mol | 165.00 | Calculated Property |
| ΔvapH | 50.06 | kJ/mol | 220.00 | Calculated Property |
| ΔvapH | 48.06 | kJ/mol | 275.00 | Calculated Property |
| ΔvapH | 45.98 | kJ/mol | 330.00 | Calculated Property |
| ΔvapH | 43.66 | kJ/mol | 385.00 | Calculated Property |
| ΔvapH | 40.88 | kJ/mol | 440.00 | Calculated Property |
| ΔvapH | 37.34 | kJ/mol | 495.00 | Calculated Property |
| ΔvapH | 32.53 | kJ/mol | 550.00 | Calculated Property |
| ΔvapH | 25.29 | kJ/mol | 605.00 | Calculated Property |
| ΔvapH | 0.00 | kJ/mol | 660.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [328.18; 475.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41170e+01 | |||
| Coefficient B | -3.57373e+03 | |||
| Coefficient C | -6.97650e+01 | |||
| Temperature range, min. | 328.18 | |||
| Temperature range, max. | 475.62 | |||
| Pvap | 1.33 | kPa | 328.18 | Calculated Property |
| Pvap | 3.04 | kPa | 344.56 | Calculated Property |
| Pvap | 6.32 | kPa | 360.94 | Calculated Property |
| Pvap | 12.15 | kPa | 377.33 | Calculated Property |
| Pvap | 21.87 | kPa | 393.71 | Calculated Property |
| Pvap | 37.19 | kPa | 410.09 | Calculated Property |
| Pvap | 60.24 | kPa | 426.47 | Calculated Property |
| Pvap | 93.53 | kPa | 442.86 | Calculated Property |
| Pvap | 139.93 | kPa | 459.24 | Calculated Property |
| Pvap | 202.67 | kPa | 475.62 | Calculated Property |
| Pvap | [1.51e-09; 3593.47] | kPa | [165.00; 660.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.03692e+02 | |||
| Coefficient B | -9.57480e+03 | |||
| Coefficient C | -1.29600e+01 | |||
| Coefficient D | 7.21150e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 660.00 | |||
| Pvap | 1.51e-09 | kPa | 165.00 | Calculated Property |
| Pvap | 8.42e-05 | kPa | 220.00 | Calculated Property |
| Pvap | 0.03 | kPa | 275.00 | Calculated Property |
| Pvap | 1.36 | kPa | 330.00 | Calculated Property |
| Pvap | 15.45 | kPa | 385.00 | Calculated Property |
| Pvap | 85.02 | kPa | 440.00 | Calculated Property |
| Pvap | 300.41 | kPa | 495.00 | Calculated Property |
| Pvap | 803.08 | kPa | 550.00 | Calculated Property |
| Pvap | 1797.15 | kPa | 605.00 | Calculated Property |
| Pvap | 3593.47 | kPa | 660.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [1074.33; 326.67] | kg/m3 | [165.00; 660.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 8.97014e+01 | |||
| Coefficient B | 2.74590e-01 | |||
| Coefficient C | 6.60000e+02 | |||
| Coefficient D | 2.85710e-01 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 660.00 | |||
| ρl | 1074.33 | kg/m3 | 165.00 | Calculated Property |
| ρl | 1032.83 | kg/m3 | 220.00 | Calculated Property |
| ρl | 989.27 | kg/m3 | 275.00 | Calculated Property |
| ρl | 943.15 | kg/m3 | 330.00 | Calculated Property |
| ρl | 893.74 | kg/m3 | 385.00 | Calculated Property |
| ρl | 839.87 | kg/m3 | 440.00 | Calculated Property |
| ρl | 779.57 | kg/m3 | 495.00 | Calculated Property |
| ρl | 708.82 | kg/m3 | 550.00 | Calculated Property |
| ρl | 616.73 | kg/m3 | 605.00 | Calculated Property |
| ρl | 326.67 | kg/m3 | 660.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.05; 2.37e-05] | N/m | [165.00; 654.06] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -1.62180e-02 | |||
| Coefficient B | 2.20190e+01 | |||
| Coefficient C | -2.74920e+00 | |||
| Coefficient D | -4.19280e-04 | |||
| Coefficient E | -2.64240e-06 | |||
| Comment | Range stopped where the equation turns negative; ChemSep gives it to 660 K. | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 654.06 | |||
| γ | 0.05 | N/m | 165.00 | Calculated Property |
| γ | 0.04 | N/m | 219.34 | Calculated Property |
| γ | 0.03 | N/m | 273.68 | Calculated Property |
| γ | 0.03 | N/m | 328.02 | Calculated Property |
| γ | 0.02 | N/m | 382.36 | Calculated Property |
| γ | 0.02 | N/m | 436.70 | Calculated Property |
| γ | 0.01 | N/m | 491.04 | Calculated Property |
| γ | 0.01 | N/m | 545.38 | Calculated Property |
| γ | 0.00 | N/m | 599.72 | Calculated Property |
| γ | 2.37e-05 | N/m | 654.06 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.02; 0.06] | W/m×K | [446.85; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 1.24000e-06 | |||
| Coefficient B | 1.55260e+00 | |||
| Coefficient C | -1.37700e+02 | |||
| Coefficient D | 3.04220e+04 | |||
| Temperature range, min. | 446.85 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.02 | W/m×K | 446.85 | Calculated Property |
| λgas | 0.02 | W/m×K | 508.31 | Calculated Property |
| λgas | 0.03 | W/m×K | 569.77 | Calculated Property |
| λgas | 0.03 | W/m×K | 631.23 | Calculated Property |
| λgas | 0.04 | W/m×K | 692.69 | Calculated Property |
| λgas | 0.04 | W/m×K | 754.16 | Calculated Property |
| λgas | 0.05 | W/m×K | 815.62 | Calculated Property |
| λgas | 0.05 | W/m×K | 877.08 | Calculated Property |
| λgas | 0.06 | W/m×K | 938.54 | Calculated Property |
| λgas | 0.06 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.16; 0.08] | W/m×K | [198.00; 528.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | -2.00640e-01 | |||
| Coefficient B | 1.20590e+01 | |||
| Coefficient C | -1.07570e+00 | |||
| Coefficient D | 1.18260e-04 | |||
| Coefficient E | -9.77000e-07 | |||
| Temperature range, min. | 198.00 | |||
| Temperature range, max. | 528.00 | |||
| λliquid | 0.16 | W/m×K | 198.00 | Calculated Property |
| λliquid | 0.15 | W/m×K | 234.67 | Calculated Property |
| λliquid | 0.14 | W/m×K | 271.33 | Calculated Property |
| λliquid | 0.13 | W/m×K | 308.00 | Calculated Property |
| λliquid | 0.13 | W/m×K | 344.67 | Calculated Property |
| λliquid | 0.12 | W/m×K | 381.33 | Calculated Property |
| λliquid | 0.11 | W/m×K | 418.00 | Calculated Property |
| λliquid | 0.10 | W/m×K | 454.67 | Calculated Property |
| λliquid | 0.09 | W/m×K | 491.33 | Calculated Property |
| λliquid | 0.08 | W/m×K | 528.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl n-propyl disulfide.
Sources
- Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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