- InChI
- InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
- InChI Key
- BDFAOUQQXJIZDG-UHFFFAOYSA-N
- Formula
- C4H10S
- SMILES
- CC(C)CS
- Molecular Weight1
- 90.19
- CAS
- 513-44-0
- Other Names
-
- 1-Isobutanethiol
- 2-Methyl propanethiol
- 2-Methyl-1-propylthiol
- 2-methyl-1-propanethiol
- 2-methylpropane-1-thiol
- Isobutanethiol
- iso-Butylmercaptan
- iso-C4H9SH
- isobutyl mercaptan
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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).
- 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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : 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).
- 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 | [0.2485; 0.2500] |
|
|
| ω | 0.2485 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.2500 | ChemSep v8.3 pure component data Compiled value | |
| PAff | 802.60 | kJ/mol | NIST |
| BasG | 771.40 | kJ/mol | NIST |
| ΔcH°liquid | -3473.50 ± 0.71 | kJ/mol | NIST |
| μ | 1.53 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 6.10 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-96.94; -96.48] | kJ/mol |
|
| ΔfH°gas | -96.94 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -96.48 ± 0.88 | kJ/mol | NIST |
| ΔfH°liquid | -132.00 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 6.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.60; 35.50] | kJ/mol |
|
| ΔvapH° | 34.71 | kJ/mol | NIST |
| ΔvapH° | 34.60 | kJ/mol | NIST |
| ΔvapH° | 34.70 ± 0.08 | kJ/mol | NIST |
| ΔvapH° | Outlier 35.50 | kJ/mol | NIST |
| ΔvapH° | 34.70 | kJ/mol | NIST |
| ΔvapH° | 34.70 | kJ/mol | NIST |
| IE | 9.12 | eV | NIST |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.572 | Crippen Calculated Property | |
| McVol | 83.570 | ml/mol | McGowan Calculated Property |
| Pc | [3900.00; 3900.00] | kPa |
|
| Pc | 3900.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3900.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 4.75e-09 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [641.00; 723.00] |
|
|
| Inp | 687.80 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 680.10 | NIST | |
| Inp | 683.40 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | Outlier 723.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | Outlier 641.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 688.00 | NIST | |
| Ip | [889.00; 910.00] |
|
|
| Ip | 910.00 | NIST | |
| Ip | 901.00 | NIST | |
| Ip | 901.00 | NIST | |
| Ip | 901.00 | NIST | |
| Ip | 889.00 | NIST | |
| Ip | 901.00 | NIST | |
| S°liquid | 266.35 | J/mol×K | NIST |
| Tboil | [314.35; 361.90] | K |
|
| Tboil | 361.64 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | Outlier 314.35 | K | KDB |
| Tboil | 361.90 | K | NIST |
| Tboil | 361.60 | K | NIST |
| Tboil | 361.65 ± 0.20 | K | NIST |
| Tboil | 361.87 ± 0.40 | K | NIST |
| Tboil | 360.00 ± 3.00 | K | NIST |
| Tboil | 361.87 ± 0.30 | K | NIST |
| Tboil | 361.40 ± 0.70 | K | NIST |
| Tboil | 361.00 ± 4.00 | K | NIST |
| Tboil | 361.00 ± 3.00 | K | NIST |
| Tboil | 360.00 ± 4.00 | K | NIST |
| Tboil | 361.00 ± 2.50 | K | NIST |
| Tc | [557.00; 559.50] | K |
|
| Tc | 557.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 557.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 559.50 | K | NIST |
| Tfus | [128.15; 128.31] | K |
|
| Tfus | 128.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 128.31 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 128.30 | K | KDB |
| Tfus | 128.29 ± 0.02 | K | NIST |
| Ttriple | [128.30; 128.31] | K |
|
| Ttriple | 128.30 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 128.31 ± 0.05 | K | NIST |
| Ttriple | 128.31 ± 0.05 | K | NIST |
| UQi | 3.29 | ChemSep v8.3 pure component data Compiled value | |
| URi | 3.90 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.307; 0.307] | m3/kmol |
|
| Vc | 0.307 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.307 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| VCOSTALD | 0.32 | m3/kmol | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
| ωSRK | 0.25 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zc | 0.2680000 | 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 |
|---|---|---|---|---|
| Cp,liquid | 171.88 | J/mol×K | 298.15 | NIST |
| ΔfusH | [4.98; 4.98] | kJ/mol | [128.30; 128.31] |
|
| ΔfusH | 4.98 | kJ/mol | 128.30 | NIST |
| ΔfusH | 4.98 | kJ/mol | 128.30 | NIST |
| ΔfusH | 4.98 | kJ/mol | 128.31 | NIST |
| ΔfusH | 4.98 | kJ/mol | 128.31 | NIST |
| ΔvapH | [31.00; 33.60] | kJ/mol | [321.00; 361.60] |
|
| ΔvapH | 33.30 ± 0.10 | kJ/mol | 321.00 | NIST |
| ΔvapH | 33.30 ± 0.10 | kJ/mol | 321.00 | NIST |
| ΔvapH | 32.30 ± 0.10 | kJ/mol | 340.00 | NIST |
| ΔvapH | 32.30 ± 0.10 | kJ/mol | 340.00 | NIST |
| ΔvapH | 33.60 | kJ/mol | 356.50 | NIST |
| ΔvapH | 33.60 | kJ/mol | 356.50 | NIST |
| ΔvapH | 31.00 ± 0.10 | kJ/mol | 361.00 | NIST |
| ΔvapH | 31.00 ± 0.10 | kJ/mol | 361.00 | NIST |
| ΔvapH | 31.01 | kJ/mol | 361.60 | NIST |
| ΔfusS | [388.30; 388.30] | J/mol×K | [128.31; 128.31] |
|
| ΔfusS | 388.30 | J/mol×K | 128.31 | NIST |
| ΔfusS | 388.30 | J/mol×K | 128.31 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.15; 291.43] | J/mol×K | [200.00; 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 | 8.36490e+01 | |||
| Coefficient B | -6.94350e+02 | |||
| Coefficient C | 5.94124e+00 | |||
| Coefficient D | -1.41110e-04 | |||
| Coefficient E | 3.10230e-08 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 95.15 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 132.10 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 170.09 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 201.33 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 225.89 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 245.16 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 260.46 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 272.80 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 282.94 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 291.43 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [157.95; 225.52] | J/mol×K | [128.31; 470.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.13680e+02 | |||
| Coefficient B | 1.17720e+02 | |||
| Coefficient C | 2.27444e+00 | |||
| Coefficient D | 4.66280e-03 | |||
| Coefficient E | 2.88760e-09 | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 470.00 | |||
| Cp,liquid | 157.95 | J/mol×K | 128.31 | Calculated Property |
| Cp,liquid | 156.53 | J/mol×K | 166.28 | Calculated Property |
| Cp,liquid | 158.53 | J/mol×K | 204.24 | Calculated Property |
| Cp,liquid | 162.59 | J/mol×K | 242.21 | Calculated Property |
| Cp,liquid | 168.35 | J/mol×K | 280.17 | Calculated Property |
| Cp,liquid | 175.74 | J/mol×K | 318.14 | Calculated Property |
| Cp,liquid | 184.90 | J/mol×K | 356.10 | Calculated Property |
| Cp,liquid | 196.04 | J/mol×K | 394.07 | Calculated Property |
| Cp,liquid | 209.45 | J/mol×K | 432.03 | Calculated Property |
| Cp,liquid | 225.52 | J/mol×K | 470.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0296820; 0.0002225] | Pa×s | [128.31; 393.00] |
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 | -1.08850e+01 | |||
| Coefficient B | 9.35580e+02 | |||
| Coefficient C | 1.57030e-02 | |||
| Coefficient D | -1.48370e-10 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 393.00 | |||
| η | 0.0296820 | Pa×s | 128.31 | Calculated Property |
| η | 0.0076456 | Pa×s | 157.72 | Calculated Property |
| η | 0.0030178 | Pa×s | 187.13 | Calculated Property |
| η | 0.0015339 | Pa×s | 216.54 | Calculated Property |
| η | 0.0009168 | Pa×s | 245.95 | Calculated Property |
| η | 0.0006118 | Pa×s | 275.36 | Calculated Property |
| η | 0.0004415 | Pa×s | 304.77 | Calculated Property |
| η | 0.0003374 | Pa×s | 334.18 | Calculated Property |
| η | 0.0002694 | Pa×s | 363.59 | Calculated Property |
| η | 0.0002225 | Pa×s | 393.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [42.81; 14.46] | kJ/mol | [128.31; 536.33] |
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 | 4.69623e+01 | |||
| Coefficient B | 2.80539e-01 | |||
| Coefficient C | 3.93074e-01 | |||
| Coefficient D | -3.40509e-01 | |||
| Coefficient E | 1.60184e-02 | |||
| Critical temperature, Tc (K) | 5.57000e+02 | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 536.33 | |||
| ΔvapH | 42.81 | kJ/mol | 128.31 | Calculated Property |
| ΔvapH | 40.89 | kJ/mol | 173.65 | Calculated Property |
| ΔvapH | 38.78 | kJ/mol | 218.98 | Calculated Property |
| ΔvapH | 36.49 | kJ/mol | 264.32 | Calculated Property |
| ΔvapH | 34.04 | kJ/mol | 309.65 | Calculated Property |
| ΔvapH | 31.40 | kJ/mol | 354.99 | Calculated Property |
| ΔvapH | 28.52 | kJ/mol | 400.32 | Calculated Property |
| ΔvapH | 25.26 | kJ/mol | 445.66 | Calculated Property |
| ΔvapH | 21.18 | kJ/mol | 490.99 | Calculated Property |
| ΔvapH | 14.46 | kJ/mol | 536.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [269.71; 382.86] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54360e+01 | |||
| Coefficient B | -3.45422e+03 | |||
| Coefficient C | -4.16860e+01 | |||
| Temperature range, min. | 269.71 | |||
| Temperature range, max. | 382.86 | |||
| Pvap | 1.33 | kPa | 269.71 | Calculated Property |
| Pvap | 2.94 | kPa | 282.28 | Calculated Property |
| Pvap | 6.00 | kPa | 294.85 | Calculated Property |
| Pvap | 11.44 | kPa | 307.43 | Calculated Property |
| Pvap | 20.59 | kPa | 320.00 | Calculated Property |
| Pvap | 35.20 | kPa | 332.57 | Calculated Property |
| Pvap | 57.57 | kPa | 345.14 | Calculated Property |
| Pvap | 90.55 | kPa | 357.72 | Calculated Property |
| Pvap | 137.56 | kPa | 370.29 | Calculated Property |
| Pvap | 202.64 | kPa | 382.86 | Calculated Property |
| Pvap | [1.59e-09; 3953.81] | kPa | [128.31; 557.00] |
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 | 8.74539e+01 | |||
| Coefficient B | -7.00504e+03 | |||
| Coefficient C | -1.09732e+01 | |||
| Coefficient D | 8.97141e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 559 K. | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 557.00 | |||
| Pvap | 1.59e-09 | kPa | 128.31 | Calculated Property |
| Pvap | 1.48e-04 | kPa | 175.94 | Calculated Property |
| Pvap | 0.06 | kPa | 223.57 | Calculated Property |
| Pvap | 2.23 | kPa | 271.21 | Calculated Property |
| Pvap | 23.07 | kPa | 318.84 | Calculated Property |
| Pvap | 116.67 | kPa | 366.47 | Calculated Property |
| Pvap | 384.02 | kPa | 414.10 | Calculated Property |
| Pvap | 968.06 | kPa | 461.74 | Calculated Property |
| Pvap | 2062.44 | kPa | 509.37 | Calculated Property |
| Pvap | 3953.81 | kPa | 557.00 | Calculated Property |
| Pvap | [2.28e-09; 4005.88] | kPa | [128.31; 559.00] |
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 | 7.91856e+01 | |||
| Coefficient B | -6.70084e+03 | |||
| Coefficient C | -9.67807e+00 | |||
| Coefficient D | 7.43090e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 559.00 | |||
| Pvap | 2.28e-09 | kPa | 128.31 | Calculated Property |
| Pvap | 1.72e-04 | kPa | 176.16 | Calculated Property |
| Pvap | 0.07 | kPa | 224.02 | Calculated Property |
| Pvap | 2.31 | kPa | 271.87 | Calculated Property |
| Pvap | 23.79 | kPa | 319.73 | Calculated Property |
| Pvap | 120.58 | kPa | 367.58 | Calculated Property |
| Pvap | 397.89 | kPa | 415.44 | Calculated Property |
| Pvap | 1001.82 | kPa | 463.29 | Calculated Property |
| Pvap | 2119.32 | kPa | 511.15 | Calculated Property |
| Pvap | 4005.88 | kPa | 559.00 | Calculated Property |
| Pvap | [19.95; 270.06] | kPa | [315.40; 398.36] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38440e+01 | |||
| Coefficient B | -2.84895e+03 | |||
| Coefficient C | -5.28370e+01 | |||
| Reference | Osborn and Douslin, 1966 | |||
| Temperature range, min. | 315.40 | |||
| Temperature range, max. | 398.36 | |||
| Pvap | 19.95 | kPa | 315.40 | Calculated Property |
| Pvap | 28.83 | kPa | 324.62 | Calculated Property |
| Pvap | 40.66 | kPa | 333.84 | Calculated Property |
| Pvap | 56.11 | kPa | 343.05 | Calculated Property |
| Pvap | 75.91 | kPa | 352.27 | Calculated Property |
| Pvap | 100.85 | kPa | 361.49 | Calculated Property |
| Pvap | 131.81 | kPa | 370.71 | Calculated Property |
| Pvap | 169.68 | kPa | 379.92 | Calculated Property |
| Pvap | 215.43 | kPa | 389.14 | Calculated Property |
| Pvap | 270.06 | kPa | 398.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [979.08; 485.88] | kg/m3 | [128.31; 536.33] |
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 | 8.78721e+01 | |||
| Coefficient B | 2.85430e-01 | |||
| Coefficient C | 5.57000e+02 | |||
| Coefficient D | 3.06840e-01 | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 536.33 | |||
| ρl | 979.08 | kg/m3 | 128.31 | Calculated Property |
| ρl | 941.62 | kg/m3 | 173.65 | Calculated Property |
| ρl | 902.58 | kg/m3 | 218.98 | Calculated Property |
| ρl | 861.57 | kg/m3 | 264.32 | Calculated Property |
| ρl | 818.08 | kg/m3 | 309.65 | Calculated Property |
| ρl | 771.31 | kg/m3 | 354.99 | Calculated Property |
| ρl | 719.96 | kg/m3 | 400.32 | Calculated Property |
| ρl | 661.60 | kg/m3 | 445.66 | Calculated Property |
| ρl | 590.67 | kg/m3 | 490.99 | Calculated Property |
| ρl | 485.88 | kg/m3 | 536.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.00] | N/m | [128.31; 536.33] |
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 | -1.94780e-02 | |||
| Coefficient B | 1.10240e+01 | |||
| Coefficient C | -2.75750e+00 | |||
| Coefficient D | -5.60110e-04 | |||
| Coefficient E | -2.92280e-06 | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 536.33 | |||
| γ | 0.04 | N/m | 128.31 | Calculated Property |
| γ | 0.04 | N/m | 173.65 | Calculated Property |
| γ | 0.03 | N/m | 218.98 | Calculated Property |
| γ | 0.03 | N/m | 264.32 | Calculated Property |
| γ | 0.02 | N/m | 309.65 | Calculated Property |
| γ | 0.02 | N/m | 354.99 | Calculated Property |
| γ | 0.01 | N/m | 400.32 | Calculated Property |
| γ | 0.01 | N/m | 445.66 | Calculated Property |
| γ | 0.00 | N/m | 490.99 | Calculated Property |
| γ | 0.00 | N/m | 536.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.08] | W/m×K | [128.30; 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 | 1.45320e-04 | |||
| Coefficient B | 9.86730e-01 | |||
| Coefficient C | 5.57500e+02 | |||
| Coefficient D | 2.25420e+04 | |||
| Temperature range, min. | 128.30 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 128.30 | Calculated Property |
| λgas | 0.01 | W/m×K | 225.16 | Calculated Property |
| λgas | 0.01 | W/m×K | 322.01 | Calculated Property |
| λgas | 0.02 | W/m×K | 418.87 | Calculated Property |
| λgas | 0.03 | W/m×K | 515.72 | Calculated Property |
| λgas | 0.04 | W/m×K | 612.58 | Calculated Property |
| λgas | 0.05 | W/m×K | 709.43 | Calculated Property |
| λgas | 0.06 | W/m×K | 806.29 | Calculated Property |
| λgas | 0.07 | W/m×K | 903.14 | Calculated Property |
| λgas | 0.08 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.17; 0.11] | W/m×K | [128.31; 361.64] |
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 | -3.57500e-02 | |||
| Coefficient B | 3.54770e+00 | |||
| Coefficient C | -1.49520e+00 | |||
| Coefficient D | -5.03180e-04 | |||
| Coefficient E | -1.73560e-06 | |||
| Temperature range, min. | 128.31 | |||
| Temperature range, max. | 361.64 | |||
| λliquid | 0.17 | W/m×K | 128.31 | Calculated Property |
| λliquid | 0.17 | W/m×K | 154.24 | Calculated Property |
| λliquid | 0.16 | W/m×K | 180.16 | Calculated Property |
| λliquid | 0.16 | W/m×K | 206.09 | Calculated Property |
| λliquid | 0.15 | W/m×K | 232.01 | Calculated Property |
| λliquid | 0.14 | W/m×K | 257.94 | Calculated Property |
| λliquid | 0.14 | W/m×K | 283.86 | Calculated Property |
| λliquid | 0.13 | W/m×K | 309.79 | Calculated Property |
| λliquid | 0.12 | W/m×K | 335.71 | Calculated Property |
| λliquid | 0.11 | W/m×K | 361.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanethiol, 2-methyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- 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
- Measurement of Henry s Law constant and infinite dilution activity coefficient of isopropyl mercaptan and isobutyl mercaptan in (methyldiethanolamine (1) + water (2)) with w1 = 0.25 and 0.50 at temperature of (298 to 348) K using inert gas stripping method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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