- InChI
- InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
- InChI Key
- CETBSQOFQKLHHZ-UHFFFAOYSA-N
- Formula
- C4H10S2
- SMILES
- CCSSCC
- Molecular Weight1
- 122.25
- CAS
- 110-81-6
- Other Names
-
- (C2H5S)2
- 1-(Ethyldisulfanyl)ethane
- 3,4-Dithiahexane
- Diethyl disulphide
- Diethyldisulfid
- Disulfide, diethyl
- Ethyl disulfide
- Ethyl disulphide
- Ethyldithioethane
- NSC 8839
- diethyldisulfide
- 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).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4087.70 ± 0.79 | kJ/mol | NIST |
| EA | 1.90 | eV | NIST |
| ΔfG° | 49.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-74.70; -74.60] | kJ/mol |
|
| ΔfH°gas | -74.60 ± 3.50 | kJ/mol | NIST |
| ΔfH°gas | -74.70 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | [-120.10; -120.00] | kJ/mol |
|
| ΔfH°liquid | -120.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -120.10 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 14.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.13 | kJ/mol | Joback Calculated Property |
| IE | [8.27; 8.85] | eV |
|
| IE | 8.30 ± 0.15 | eV | NIST |
| IE | 8.27 ± 0.03 | eV | NIST |
| IE | 8.77 | eV | NIST |
| IE | 8.70 | eV | NIST |
| IE | 8.85 | eV | NIST |
| IE | 8.70 | eV | NIST |
| log10WS | [-2.42; -2.42] |
|
|
| log10WS | -2.42 | Aq. Sol... | |
| log10WS | -2.42 | Estimat... | |
| logPoct/wat | 2.408 | Crippen Calculated Property | |
| McVol | 99.920 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Inp | [901.00; 952.00] |
|
|
| Inp | 923.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | Outlier 952.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 903.00 | NIST | |
| Inp | 903.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 926.00 | NIST | |
| I | [1187.00; 1257.00] |
|
|
| I | 1244.00 | NIST | |
| I | 1215.00 | NIST | |
| I | 1217.00 | NIST | |
| I | 1192.00 | NIST | |
| I | 1192.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1197.00 | NIST | |
| I | 1210.00 | NIST | |
| I | 1210.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1187.00 | NIST | |
| I | 1209.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1257.00 | NIST | |
| I | 1197.00 | NIST | |
| I | 1209.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1244.00 | NIST | |
| S°liquid | 305.01 | J/mol×K | NIST |
| Tboil | [425.20; 427.20] | K |
|
| Tboil | 425.20 | K | NIST |
| Tboil | 427.20 | K | NIST |
| Tboil | 427.20 | K | NIST |
| Tboil | 427.00 ± 1.50 | K | NIST |
| Tc | 642.00 | K | NIST |
| Tfus | [171.40; 172.00] | K |
|
| Tfus | 171.40 | K | Aq. Sol... |
| Tfus | 172.00 ± 0.20 | K | NIST |
| Ttriple | 171.64 ± 0.02 | K | NIST |
| Vc | 0.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.81; 226.91] | J/mol×K | [428.48; 646.67] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 180 190 200 210 220 230 500 600 | ||||
| Cp,gas | 175.81 | J/mol×K | 428.48 | Joback Calculated Property |
| Cp,gas | 185.27 | J/mol×K | 464.85 | Joback Calculated Property |
| Cp,gas | 194.36 | J/mol×K | 501.21 | Joback Calculated Property |
| Cp,gas | 203.07 | J/mol×K | 537.58 | Joback Calculated Property |
| Cp,gas | 211.40 | J/mol×K | 573.94 | Joback Calculated Property |
| Cp,gas | 219.35 | J/mol×K | 610.31 | Joback Calculated Property |
| Cp,gas | 226.91 | J/mol×K | 646.67 | Joback Calculated Property |
| Cp,liquid | 204.01 | J/mol×K | 298.15 | NIST |
| ΔfusH | [9.40; 9.40] | kJ/mol | [171.60; 171.64] |
|
| ΔfusH | 9.40 | kJ/mol | 171.60 | NIST |
| ΔfusH | 9.40 | kJ/mol | 171.60 | NIST |
| ΔfusH | 9.40 | kJ/mol | 171.64 | NIST |
| ΔvapH | [37.58; 45.70] | kJ/mol | [360.50; 427.20] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 38 40 42 44 46 360 380 400 420 | ||||
| ΔvapH | 45.70 | kJ/mol | 360.50 | NIST |
| ΔvapH | 40.90 ± 0.10 | kJ/mol | 373.73 | NIST |
| ΔvapH | 41.50 | kJ/mol | 396.00 | NIST |
| ΔvapH | 40.90 | kJ/mol | 402.00 | NIST |
| ΔvapH | 37.58 | kJ/mol | 427.20 | NIST |
| Pvap | [15.80; 100.70] | kPa | [366.97; 426.39] |
|
|
T(K) Vapor pressure (kPa) 20 40 60 80 100 380 400 420 | ||||
| Pvap | 15.80 | kPa | 366.97 | Phase e... |
| Pvap | 24.10 | kPa | 378.82 | Phase e... |
| Pvap | 32.30 | kPa | 387.59 | Phase e... |
| Pvap | 44.40 | kPa | 397.84 | Phase e... |
| Pvap | 52.80 | kPa | 403.31 | Phase e... |
| Pvap | 62.20 | kPa | 408.91 | Phase e... |
| Pvap | 71.10 | kPa | 413.59 | Phase e... |
| Pvap | 82.10 | kPa | 418.73 | Phase e... |
| Pvap | 90.50 | kPa | 422.25 | Phase e... |
| Pvap | 100.70 | kPa | 426.39 | Phase e... |
| ΔfusS | 54.79 | J/mol×K | 171.64 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [310.74; 453.20] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48234e+01 | |||
| Coefficient B | -3.92063e+03 | |||
| Coefficient C | -4.10150e+01 | |||
| Temperature range, min. | 310.74 | |||
| Temperature range, max. | 453.20 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 310.74 | Calculated Property |
| Pvap | 2.98 | kPa | 326.57 | Calculated Property |
| Pvap | 6.14 | kPa | 342.40 | Calculated Property |
| Pvap | 11.75 | kPa | 358.23 | Calculated Property |
| Pvap | 21.14 | kPa | 374.06 | Calculated Property |
| Pvap | 36.06 | kPa | 389.88 | Calculated Property |
| Pvap | 58.73 | kPa | 405.71 | Calculated Property |
| Pvap | 91.86 | kPa | 421.54 | Calculated Property |
| Pvap | 138.61 | kPa | 437.37 | Calculated Property |
| Pvap | 202.66 | kPa | 453.20 | Calculated Property |
| Pvap | [2.14e-07; 3660.74] | kPa | [171.63; 642.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.72140e+01 | |||
| Coefficient B | -7.89627e+03 | |||
| Coefficient C | -9.07739e+00 | |||
| Coefficient D | 4.78576e-06 | |||
| Temperature range, min. | 171.63 | |||
| Temperature range, max. | 642.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 200 400 600 | ||||
| Pvap | 2.14e-07 | kPa | 171.63 | Calculated Property |
| Pvap | 9.75e-04 | kPa | 223.89 | Calculated Property |
| Pvap | 0.13 | kPa | 276.16 | Calculated Property |
| Pvap | 2.97 | kPa | 328.42 | Calculated Property |
| Pvap | 25.22 | kPa | 380.68 | Calculated Property |
| Pvap | 117.60 | kPa | 432.95 | Calculated Property |
| Pvap | 374.99 | kPa | 485.21 | Calculated Property |
| Pvap | 931.28 | kPa | 537.47 | Calculated Property |
| Pvap | 1954.95 | kPa | 589.74 | Calculated Property |
| Pvap | 3660.74 | kPa | 642.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl disulfide.
Mixtures
- Diethyl disulfide + Pentane, 2,2,4-trimethyl-
- Hexatriacontane + Diethyl disulfide
- Hexatriacontane + Naphthalene, decahydro- + Diethyl disulfide
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Experimental solubility data of various n-alkane waxes: effects of alkane chain length, alkane odd versus even carbon number structures, and solvent chemistry on solubility
- Phase equilibria for systems containing dimethyl disulfide and diethyl disulfide with hydrocarbons at 368.15 K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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