- InChI
- InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
- InChI Key
- SUVIGLJNEAMWEG-UHFFFAOYSA-N
- Formula
- C3H8S
- SMILES
- CCCS
- Molecular Weight1
- 76.16
- CAS
- 107-03-9
- Other Names
-
- 1-Mercaptopropane
- 1-Propyl mercaptan
- 1-Propylthiol
- 1-propanethiol
- 3-MERCAPTOPROPANOL
- Propane-1-thiol
- Propanethiol
- Propylthiol
- n-C3H7SH
- n-Propylthiol
- n-propyl 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).
- n0 : Refractive Index.
- ρc : Critical density (kg/m3).
- 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 | [0.2250; 0.2250] |
|
|
| ω | 0.2250 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.2250 | ChemSep v8.3 pure component data Compiled value | |
| PAff | 794.90 | kJ/mol | NIST |
| BasG | 763.60 | kJ/mol | NIST |
| ΔcH°liquid | -2825.30 ± 0.49 | kJ/mol | NIST |
| μ | 1.55 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 2.70 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-68.58; -67.50] | kJ/mol |
|
| ΔfH°gas | -67.50 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -68.58 ± 0.63 | kJ/mol | NIST |
| ΔfH°liquid | -100.60 ± 0.63 | kJ/mol | NIST |
| ΔfusH° | 7.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [31.90; 32.05] | kJ/mol |
|
| ΔvapH° | 32.05 | kJ/mol | NIST |
| ΔvapH° | 31.90 | kJ/mol | NIST |
| ΔvapH° | 31.99 | kJ/mol | NIST |
| ΔvapH° | 32.00 | kJ/mol | NIST |
| ΔvapH° | 31.99 | kJ/mol | NIST |
| IE | [9.19; 9.21] | eV |
|
| IE | 9.20 ± 0.01 | eV | NIST |
| IE | 9.21 | eV | NIST |
| IE | 9.19 | eV | NIST |
| IE | 9.20 ± 0.01 | eV | NIST |
| log10WS | -1.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.326 | Crippen Calculated Property | |
| McVol | 69.480 | ml/mol | McGowan Calculated Property |
| Pc | [4520.00; 4600.00] | kPa |
|
| Pc | 4600.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value |
| Pc | 4529.23 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 4520.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 6.51e-05 | kPa | ChemSep v8.3 pure component data Compiled value |
| ρc | 265.80 ± 7.62 | kg/m3 | NIST |
| Inp | [579.00; 630.00] |
|
|
| Inp | 617.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 615.40 | NIST | |
| Inp | 615.70 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 624.00 | NIST | |
| Inp | 617.00 | NIST | |
| Inp | 615.00 | NIST | |
| Inp | 616.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 601.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | Outlier 579.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 596.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 617.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 614.00 | NIST | |
| Ip | [817.00; 857.00] |
|
|
| Ip | 840.00 | NIST | |
| Ip | 857.00 | NIST | |
| Ip | 857.00 | NIST | |
| Ip | 843.00 | NIST | |
| Ip | 845.00 | NIST | |
| Ip | 830.00 | NIST | |
| Ip | 833.00 | NIST | |
| Ip | 855.00 | NIST | |
| Ip | Outlier 817.00 | NIST | |
| Ip | 840.00 | NIST | |
| S°liquid | 242.50 | J/mol×K | NIST |
| Tboil | [335.00; 389.00] | K |
|
| Tboil | 340.65 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 340.90 | K | KDB |
| Tboil | 340.70 | K | NIST |
| Tboil | 340.90 | K | NIST |
| Tboil | 338.00 ± 2.00 | K | NIST |
| Tboil | 340.95 ± 0.20 | K | NIST |
| Tboil | 340.70 ± 1.00 | K | NIST |
| Tboil | 341.00 ± 3.00 | K | NIST |
| Tboil | 341.00 ± 0.20 | K | NIST |
| Tboil | 340.97 ± 0.30 | K | NIST |
| Tboil | 342.00 ± 3.00 | K | NIST |
| Tboil | 340.97 ± 0.20 | K | NIST |
| Tboil | 340.50 ± 0.50 | K | NIST |
| Tboil | 340.90 ± 0.70 | K | NIST |
| Tboil | 340.70 ± 3.00 | K | NIST |
| Tboil | 341.00 ± 1.38 | K | NIST |
| Tboil | Outlier 389.00 ± 3.00 | K | NIST |
| Tboil | 341.40 ± 1.00 | K | NIST |
| Tboil | 335.00 ± 3.00 | K | NIST |
| Tboil | 341.00 ± 3.00 | K | NIST |
| Tboil | 341.00 ± 3.00 | K | NIST |
| Tboil | 340.00 ± 2.00 | K | NIST |
| Tboil | 341.00 ± 5.00 | K | NIST |
| Tc | [535.60; 537.00] | K |
|
| Tc | 537.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value |
| Tc | 536.60 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 536.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 536.60 | K | KDB |
| Tc | 536.60 ± 0.40 | K | NIST |
| Tc | 535.60 | K | NIST |
| Tfus | [159.80; 161.65] | K |
|
| Tfus | 160.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 159.85 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 159.80 | K | KDB |
| Tfus | 160.02 ± 0.02 | K | NIST |
| Tfus | 160.02 ± 0.10 | K | NIST |
| Tfus | 160.02 ± 0.10 | K | NIST |
| Tfus | 160.09 ± 0.10 | K | NIST |
| Tfus | 159.90 ± 0.30 | K | NIST |
| Tfus | Outlier 161.65 ± 0.50 | K | NIST |
| Ttriple | [159.98; 160.01] | K |
|
| Ttriple | 160.01 | K | Staveley, Lobo and Calado (1981), triple points Compiled value |
| Ttriple | 160.00 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 159.98 ± 0.05 | K | NIST |
| Ttriple | 159.99 ± 0.03 | K | NIST |
| Ttriple | 160.00 ± 0.07 | K | NIST |
| Ttriple | 159.98 ± 0.05 | K | NIST |
| Ttriple | 159.99 ± 0.03 | K | NIST |
| UQi | 2.76 | ChemSep v8.3 pure component data Compiled value | |
| URi | 3.23 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.254; 0.286] | m3/kmol |
|
| Vc | 0.286 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value |
| Vc | 0.286 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.254 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.286 | m3/kmol | KDB |
| VCOSTALD | 0.26 | m3/kmol | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
| ωSRK | 0.24 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zc | [0.2640000; 0.2950000] |
|
|
| Zc | 0.2950000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 Compiled value | |
| Zc | 0.2640000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | [0.26; 0.27] |
|
|
| Zra | 0.27 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zra | 0.26 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 144.56 | J/mol×K | 298.15 | NIST |
| ΔfusH | [3.97; 5.48] | kJ/mol | [142.10; 160.00] |
|
| ΔfusH | 3.97 | kJ/mol | 142.10 | NIST |
| ΔfusH | 5.48 | kJ/mol | 160.00 | NIST |
| ΔfusH | 5.48 | kJ/mol | 160.00 | NIST |
| ΔvapH | [29.50; 33.70] | kJ/mol | [303.00; 341.00] |
|
| ΔvapH | 31.60 ± 0.10 | kJ/mol | 303.00 | NIST |
| ΔvapH | 31.60 ± 0.10 | kJ/mol | 303.00 | NIST |
| ΔvapH | 33.70 | kJ/mol | 309.00 | NIST |
| ΔvapH | 31.50 | kJ/mol | 312.00 | NIST |
| ΔvapH | 30.70 ± 0.10 | kJ/mol | 320.00 | NIST |
| ΔvapH | 30.70 ± 0.10 | kJ/mol | 320.00 | NIST |
| ΔvapH | 31.80 | kJ/mol | 336.00 | NIST |
| ΔvapH | 31.80 | kJ/mol | 336.00 | NIST |
| ΔvapH | 29.54 | kJ/mol | 340.90 | NIST |
| ΔvapH | 29.50 ± 0.10 | kJ/mol | 341.00 | NIST |
| ΔvapH | 29.50 ± 0.10 | kJ/mol | 341.00 | NIST |
| n0 | [1.43530; 1.43530] | [298.15; 298.15] |
|
|
| n0 | 1.43530 | 298.15 | Vapor-Liquid Equilibrium for Binary System of 1-Propanethiol, Thiophene, and Diethyl Sulfide with Toluene at 90.03 kPa | |
| n0 | 1.43530 | 298.15 | Vapor Liquid Equilibrium for Methoxymethane + Thiophene, + Diethylsulfide, + 2-Methyl-2-propanethiol and 1-Hexene, + 1-Propanethiol | |
| ΔfusS | [27.95; 34.23] | J/mol×K | [142.10; 160.00] |
|
| ΔfusS | 27.95 | J/mol×K | 142.10 | NIST |
| ΔfusS | 34.23 | J/mol×K | 160.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [77.19; 232.41] | 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 | 6.92580e+01 | |||
| Coefficient B | -7.18050e+02 | |||
| Coefficient C | 5.67924e+00 | |||
| Coefficient D | -9.08120e-05 | |||
| Coefficient E | 1.34900e-08 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 77.19 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 104.59 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 133.93 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 158.68 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 178.50 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 194.26 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 206.89 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 217.10 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 225.47 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 232.41 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [137.22; 182.23] | J/mol×K | [159.95; 440.00] |
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 | 1.04970e+02 | |||
| Coefficient B | 2.04830e+02 | |||
| Coefficient C | 1.37154e+00 | |||
| Coefficient D | 4.81080e-03 | |||
| Coefficient E | 2.03170e-06 | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 440.00 | |||
| Cp,liquid | 137.22 | J/mol×K | 159.95 | Calculated Property |
| Cp,liquid | 136.06 | J/mol×K | 191.07 | Calculated Property |
| Cp,liquid | 136.87 | J/mol×K | 222.18 | Calculated Property |
| Cp,liquid | 139.06 | J/mol×K | 253.30 | Calculated Property |
| Cp,liquid | 142.47 | J/mol×K | 284.42 | Calculated Property |
| Cp,liquid | 147.11 | J/mol×K | 315.53 | Calculated Property |
| Cp,liquid | 153.12 | J/mol×K | 346.65 | Calculated Property |
| Cp,liquid | 160.73 | J/mol×K | 377.77 | Calculated Property |
| Cp,liquid | 170.28 | J/mol×K | 408.88 | Calculated Property |
| Cp,liquid | 182.23 | J/mol×K | 440.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045496; 0.0001931] | Pa×s | [159.95; 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 | -8.63280e+00 | |||
| Coefficient B | 8.06300e+02 | |||
| Coefficient C | -3.60900e-01 | |||
| Coefficient D | 1.19770e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 393.00 | |||
| η | 0.0045496 | Pa×s | 159.95 | Calculated Property |
| η | 0.0021581 | Pa×s | 185.84 | Calculated Property |
| η | 0.0012262 | Pa×s | 211.74 | Calculated Property |
| η | 0.0007876 | Pa×s | 237.63 | Calculated Property |
| η | 0.0005521 | Pa×s | 263.53 | Calculated Property |
| η | 0.0004130 | Pa×s | 289.42 | Calculated Property |
| η | 0.0003245 | Pa×s | 315.32 | Calculated Property |
| η | 0.0002651 | Pa×s | 341.21 | Calculated Property |
| η | 0.0002234 | Pa×s | 367.11 | Calculated Property |
| η | 0.0001931 | Pa×s | 393.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [38.79; 13.94] | kJ/mol | [159.95; 516.78] |
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 | 4.18388e+01 | |||
| Coefficient B | -3.06824e-02 | |||
| Coefficient C | 1.01039e+00 | |||
| Coefficient D | -6.40892e-01 | |||
| Coefficient E | -1.94755e-02 | |||
| Critical temperature, Tc (K) | 5.36000e+02 | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 516.78 | |||
| ΔvapH | 38.79 | kJ/mol | 159.95 | Calculated Property |
| ΔvapH | 37.14 | kJ/mol | 199.60 | Calculated Property |
| ΔvapH | 35.23 | kJ/mol | 239.25 | Calculated Property |
| ΔvapH | 33.10 | kJ/mol | 278.89 | Calculated Property |
| ΔvapH | 30.81 | kJ/mol | 318.54 | Calculated Property |
| ΔvapH | 28.36 | kJ/mol | 358.19 | Calculated Property |
| ΔvapH | 25.74 | kJ/mol | 397.84 | Calculated Property |
| ΔvapH | 22.87 | kJ/mol | 437.48 | Calculated Property |
| ΔvapH | 19.43 | kJ/mol | 477.13 | Calculated Property |
| ΔvapH | 13.94 | kJ/mol | 516.78 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 4654.62] | kPa | [247.71; 536.60] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43731e+01 | |||
| Coefficient B | -2.95656e+03 | |||
| Coefficient C | -3.78120e+01 | |||
| Temperature range, min. | 247.71 | |||
| Temperature range, max. | 536.60 | |||
| Pvap | 1.33 | kPa | 247.71 | Calculated Property |
| Pvap | 8.63 | kPa | 279.81 | Calculated Property |
| Pvap | 36.11 | kPa | 311.91 | Calculated Property |
| Pvap | 111.86 | kPa | 344.01 | Calculated Property |
| Pvap | 279.63 | kPa | 376.11 | Calculated Property |
| Pvap | 596.37 | kPa | 408.20 | Calculated Property |
| Pvap | 1127.16 | kPa | 440.30 | Calculated Property |
| Pvap | 1939.15 | kPa | 472.40 | Calculated Property |
| Pvap | 3096.17 | kPa | 504.50 | Calculated Property |
| Pvap | 4654.62 | kPa | 536.60 | Calculated Property |
| Pvap | [5.67e-05; 4520.74] | kPa | [159.95; 536.00] |
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 | 7.45416e+01 | |||
| Coefficient B | -6.19656e+03 | |||
| Coefficient C | -9.01842e+00 | |||
| Coefficient D | 7.33910e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 536.6 K. | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 536.00 | |||
| Pvap | 5.67e-05 | kPa | 159.95 | Calculated Property |
| Pvap | 0.02 | kPa | 201.73 | Calculated Property |
| Pvap | 0.97 | kPa | 243.52 | Calculated Property |
| Pvap | 11.40 | kPa | 285.30 | Calculated Property |
| Pvap | 64.28 | kPa | 327.08 | Calculated Property |
| Pvap | 230.10 | kPa | 368.87 | Calculated Property |
| Pvap | 613.46 | kPa | 410.65 | Calculated Property |
| Pvap | 1344.07 | kPa | 452.43 | Calculated Property |
| Pvap | 2578.73 | kPa | 494.22 | Calculated Property |
| Pvap | 4520.74 | kPa | 536.00 | Calculated Property |
| Pvap | [5.35e-05; 4626.75] | kPa | [159.95; 536.00] |
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 | 7.86939e+01 | |||
| Coefficient B | -6.33433e+03 | |||
| Coefficient C | -9.68363e+00 | |||
| Coefficient D | 8.41181e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 536.00 | |||
| Pvap | 5.35e-05 | kPa | 159.95 | Calculated Property |
| Pvap | 0.02 | kPa | 201.73 | Calculated Property |
| Pvap | 0.97 | kPa | 243.52 | Calculated Property |
| Pvap | 11.35 | kPa | 285.30 | Calculated Property |
| Pvap | 63.91 | kPa | 327.08 | Calculated Property |
| Pvap | 228.51 | kPa | 368.87 | Calculated Property |
| Pvap | 610.17 | kPa | 410.65 | Calculated Property |
| Pvap | 1343.87 | kPa | 452.43 | Calculated Property |
| Pvap | 2602.72 | kPa | 494.22 | Calculated Property |
| Pvap | 4626.75 | kPa | 536.00 | Calculated Property |
| Pvap | [19.91; 270.11] | kPa | [297.42; 375.24] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39388e+01 | |||
| Coefficient B | -2.72486e+03 | |||
| Coefficient C | -4.85160e+01 | |||
| Reference | Pennington, Scott, et al., 1956 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 297.42 | |||
| Temperature range, max. | 375.24 | |||
| Pvap | 19.91 | kPa | 297.42 | Calculated Property |
| Pvap | 28.76 | kPa | 306.07 | Calculated Property |
| Pvap | 40.55 | kPa | 314.71 | Calculated Property |
| Pvap | 55.96 | kPa | 323.36 | Calculated Property |
| Pvap | 75.71 | kPa | 332.01 | Calculated Property |
| Pvap | 100.63 | kPa | 340.65 | Calculated Property |
| Pvap | 131.57 | kPa | 349.30 | Calculated Property |
| Pvap | 169.48 | kPa | 357.95 | Calculated Property |
| Pvap | 215.32 | kPa | 366.59 | Calculated Property |
| Pvap | 270.11 | kPa | 375.24 | Calculated Property |
| Pvap | [19.91; 270.11] | kPa | [297.42; 375.24] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39388e+01 | |||
| Coefficient B | -2.72486e+03 | |||
| Coefficient C | -4.85160e+01 | |||
| Reference | Pennington, Scott, et al., 1956, 3 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 297.42 | |||
| Temperature range, max. | 375.24 | |||
| Pvap | 19.91 | kPa | 297.42 | Calculated Property |
| Pvap | 28.76 | kPa | 306.07 | Calculated Property |
| Pvap | 40.55 | kPa | 314.71 | Calculated Property |
| Pvap | 55.96 | kPa | 323.36 | Calculated Property |
| Pvap | 75.71 | kPa | 332.01 | Calculated Property |
| Pvap | 100.63 | kPa | 340.65 | Calculated Property |
| Pvap | 131.57 | kPa | 349.30 | Calculated Property |
| Pvap | 169.48 | kPa | 357.95 | Calculated Property |
| Pvap | 215.32 | kPa | 366.59 | Calculated Property |
| Pvap | 270.11 | kPa | 375.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [967.52; 350.51] | kg/m3 | [159.95; 536.00] |
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 | 7.50113e+01 | |||
| Coefficient B | 2.61300e-01 | |||
| Coefficient C | 5.36610e+02 | |||
| Coefficient D | 2.81050e-01 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 536.6 K. | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 536.00 | |||
| ρl | 967.52 | kg/m3 | 159.95 | Calculated Property |
| ρl | 930.05 | kg/m3 | 201.73 | Calculated Property |
| ρl | 890.72 | kg/m3 | 243.52 | Calculated Property |
| ρl | 849.05 | kg/m3 | 285.30 | Calculated Property |
| ρl | 804.40 | kg/m3 | 327.08 | Calculated Property |
| ρl | 755.71 | kg/m3 | 368.87 | Calculated Property |
| ρl | 701.19 | kg/m3 | 410.65 | Calculated Property |
| ρl | 637.24 | kg/m3 | 452.43 | Calculated Property |
| ρl | 554.09 | kg/m3 | 494.22 | Calculated Property |
| ρl | 350.51 | kg/m3 | 536.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [160.15; 341.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 6.21247e-02 | |||
| Coefficient B | -1.27200e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 160.15 | |||
| Temperature range, max. | 341.15 | |||
| γ | 0.04 | N/m | 160.15 | Calculated Property |
| γ | 0.04 | N/m | 180.26 | Calculated Property |
| γ | 0.04 | N/m | 200.37 | Calculated Property |
| γ | 0.03 | N/m | 220.48 | Calculated Property |
| γ | 0.03 | N/m | 240.59 | Calculated Property |
| γ | 0.03 | N/m | 260.71 | Calculated Property |
| γ | 0.03 | N/m | 280.82 | Calculated Property |
| γ | 0.02 | N/m | 300.93 | Calculated Property |
| γ | 0.02 | N/m | 321.04 | Calculated Property |
| γ | 0.02 | N/m | 341.15 | Calculated Property |
| γ | [0.04; 0.00] | N/m | [159.95; 516.78] |
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 | -7.44490e-03 | |||
| Coefficient B | 1.94680e+02 | |||
| Coefficient C | -5.02770e+00 | |||
| Coefficient D | 7.53860e-03 | |||
| Coefficient E | -1.50120e-05 | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 516.78 | |||
| γ | 0.04 | N/m | 159.95 | Calculated Property |
| γ | 0.04 | N/m | 199.60 | Calculated Property |
| γ | 0.03 | N/m | 239.25 | Calculated Property |
| γ | 0.03 | N/m | 278.89 | Calculated Property |
| γ | 0.02 | N/m | 318.54 | Calculated Property |
| γ | 0.02 | N/m | 358.19 | Calculated Property |
| γ | 0.01 | N/m | 397.84 | Calculated Property |
| γ | 0.01 | N/m | 437.48 | Calculated Property |
| γ | 0.00 | N/m | 477.13 | Calculated Property |
| γ | 0.00 | N/m | 516.78 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.08] | W/m×K | [160.00; 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 | 8.89530e-03 | |||
| Coefficient B | 5.14440e-01 | |||
| Coefficient C | 2.33790e+03 | |||
| Coefficient D | 3.45110e+05 | |||
| Temperature range, min. | 160.00 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 160.00 | Calculated Property |
| λgas | 0.01 | W/m×K | 253.33 | Calculated Property |
| λgas | 0.02 | W/m×K | 346.67 | Calculated Property |
| λgas | 0.03 | W/m×K | 440.00 | Calculated Property |
| λgas | 0.03 | W/m×K | 533.33 | Calculated Property |
| λgas | 0.04 | W/m×K | 626.67 | Calculated Property |
| λgas | 0.05 | W/m×K | 720.00 | Calculated Property |
| λgas | 0.06 | W/m×K | 813.33 | Calculated Property |
| λgas | 0.07 | W/m×K | 906.67 | Calculated Property |
| λgas | 0.08 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.17; 0.12] | W/m×K | [159.95; 340.87] |
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 | -6.11150e-02 | |||
| Coefficient B | 3.38360e+00 | |||
| Coefficient C | -1.34780e+00 | |||
| Coefficient D | -4.94870e-04 | |||
| Coefficient E | -1.62110e-06 | |||
| Temperature range, min. | 159.95 | |||
| Temperature range, max. | 340.87 | |||
| λliquid | 0.17 | W/m×K | 159.95 | Calculated Property |
| λliquid | 0.17 | W/m×K | 180.05 | Calculated Property |
| λliquid | 0.16 | W/m×K | 200.15 | Calculated Property |
| λliquid | 0.16 | W/m×K | 220.26 | Calculated Property |
| λliquid | 0.15 | W/m×K | 240.36 | Calculated Property |
| λliquid | 0.15 | W/m×K | 260.46 | Calculated Property |
| λliquid | 0.14 | W/m×K | 280.56 | Calculated Property |
| λliquid | 0.13 | W/m×K | 300.67 | Calculated Property |
| λliquid | 0.13 | W/m×K | 320.77 | Calculated Property |
| λliquid | 0.12 | W/m×K | 340.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Propyl mercaptan.
Mixtures
- Propyl mercaptan + Water
- Propyl mercaptan + Methane + Water
- Toluene + Propyl mercaptan
- Propyl mercaptan + Methyldiethanolamine + Water
- 1-Butanethiol + Propyl mercaptan + Methane
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.
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 8 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 8. Organic Sulfur, Silicon, and Tin Compounds (C + H + S, Si, and Sn). J. Chem. Eng. Data 2001, 46, 480-485.
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- 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.
- Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
- 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
- Infinite dilution activity coefficient measurements by inert gas stripping method
- Phase Equilibrium Measurements and Modeling of 1-Propanethiol +1-Butanethiol + CH4 in Methane Ternary System at 303, 336, and 368 K and Pressure Up to 9 MPa
- Measurement of Henry s Law Constants and Infinite Dilution Activity Coefficients of Propyl Mercaptan, Butyl Mercaptan, and Dimethyl Sulfide in Methyldiethanolamine (1) + Water (2) with w1 ) 0.50 Using a Gas Stripping Technique
- Vapor-Liquid Equilibrium for Binary System of 1-Propanethiol, Thiophene, and Diethyl Sulfide with Toluene at 90.03 kPa
- Vapor Liquid Equilibrium for Methoxymethane + Thiophene, + Diethylsulfide, + 2-Methyl-2-propanethiol and 1-Hexene, + 1-Propanethiol
- Measurement through a Gas Stripping Technique of Henry's Law Constants and Infinite Dilution Activity Coefficients of Propyl Mercaptan, Butyl Mercaptan, and Dimethyl Sulfide in Methyldiethanolamine (1) + Water (2) with w1 = 0.25 and 0.35
- Vapor-Liquid Equilibrium Measurements and Modeling of the Propyl Mercaptan + Methane + Water System
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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