Chemical Properties of Propane, 1-(ethylthio)- (CAS 4110-50-3)

Propane, 1-(ethylthio)-

InChI
InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3
InChI Key
ZDDDFDQTSXYYSE-UHFFFAOYSA-N
Formula
C5H12S
SMILES
CCCSCC
Molecular Weight1
104.22
CAS
4110-50-3
Other Names
  • 1-(Ethylthio)propane
  • 3-Thiahexane
  • ETHYL PROPYL THIO ETHER
  • Ethyl n-propyl sulfide
  • Ethyl propyl sulfide
  • Ethyl propyl sulphide
  • Ethyl propyl thioether
  • Propyl ethyl sulfide
  • Sulfide, ethyl propyl
  • n-C3H7SC2H5
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔcH°liquid [-4139.90; -4139.50] kJ/mol Show Hide
ΔcH°liquid -4139.90 ± 0.59 kJ/mol NIST
ΔcH°liquid -4139.50 ± 0.59 kJ/mol NIST
ΔfH°gas [-104.70; -104.50] kJ/mol Show Hide
ΔfH°gas -104.70 ± 0.79 kJ/mol NIST
ΔfH°gas -104.50 kJ/mol NIST
ΔfH°liquid [-144.80; -144.60] kJ/mol Show Hide
ΔfH°liquid -144.80 ± 0.79 kJ/mol NIST
ΔfH°liquid -144.60 ± 0.75 kJ/mol NIST
ΔfusH° 12.84 kJ/mol Joback Calculated Property
ΔvapH° [39.50; 40.10] kJ/mol Show Hide
ΔvapH° 40.01 kJ/mol NIST
ΔvapH° Outlier 39.50 kJ/mol NIST
ΔvapH° 40.00 kJ/mol NIST
ΔvapH° 40.10 ± 0.04 kJ/mol NIST
ΔvapH° 40.10 kJ/mol NIST
ΔvapH° 40.08 kJ/mol NIST
IE [8.37; 8.50] eV Show Hide
IE 8.37 eV NIST
IE 8.50 ± 0.05 eV NIST
log10WS -2.16 Relay (1.0) Calculated Property
logPoct/wat 2.150 Crippen Calculated Property
McVol 97.660 ml/mol McGowan Calculated Property
Pc 3538.87 kPa Joback Calculated Property
Inp [782.00; 801.00]   Show Hide
Inp 794.00 NIST
Inp 794.00 NIST
Inp 801.00 NIST
Inp 785.00 NIST
Inp 785.00 NIST
Inp 782.00 NIST
Inp 783.00 NIST
Inp 785.00 NIST
Inp 794.00 NIST
Ip [1017.00; 1017.00]   Show Hide
Ip 1017.00 NIST
Ip 1017.00 NIST
S°liquid 309.53 J/mol×K NIST
Tboil [389.00; 391.70] K Show Hide
Tboil 391.70 K NIST
Tboil 391.70 K NIST
Tboil 391.70 ± 0.30 K NIST
Tboil 389.00 ± 3.00 K NIST
Tc 583.21 K Relay (1.0) Calculated Property
Tfus [156.11; 156.15] K Show Hide
Tfus 156.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 156.11 ± 0.10 K NIST
Ttriple [156.10; 156.11] K Show Hide
Ttriple 156.11 K Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple 156.10 ± 0.04 K NIST
Ttriple 156.10 ± 0.03 K NIST
Ttriple 156.10 ± 0.04 K NIST
Ttriple 156.10 ± 0.03 K NIST
VCOSTALD 0.37 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 0.33 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra 0.26 Hankinson and Thomson (1979), COSTALD parameters Compiled value

Cheméo can also estimate 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 198.41 J/mol×K 298.15 NIST
ΔfusH [10.58; 10.58] kJ/mol [156.10; 156.10] Show Hide
ΔfusH 10.58 kJ/mol 156.10 NIST
ΔfusH 10.58 kJ/mol 156.10 NIST
ΔfusH 10.58 kJ/mol 156.10 NIST
ΔfusH 10.58 kJ/mol 156.10 NIST
ΔvapH [34.24; 39.80] kJ/mol [355.50; 391.70] Show Hide
ΔvapH 39.80 kJ/mol 355.50 NIST
ΔvapH 37.80 kJ/mol 364.50 NIST
ΔvapH 34.24 kJ/mol 391.70 NIST
ΔfusS [67.78; 67.78] J/mol×K [156.10; 156.10] Show Hide
ΔfusS 67.78 J/mol×K 156.10 NIST
ΔfusS 67.78 J/mol×K 156.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [132.05; 303.87] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.79430e+01
Coefficient B4.73230e-01
Coefficient C-2.08000e-04
Coefficient D2.07000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 132.05 J/mol×K 273.00 Calculated Property
Cp,gas 160.24 J/mol×K 353.78 Calculated Property
Cp,gas 186.01 J/mol×K 434.56 Calculated Property
Cp,gas 209.41 J/mol×K 515.33 Calculated Property
Cp,gas 230.51 J/mol×K 596.11 Calculated Property
Cp,gas 249.39 J/mol×K 676.89 Calculated Property
Cp,gas 266.09 J/mol×K 757.67 Calculated Property
Cp,gas 280.70 J/mol×K 838.44 Calculated Property
Cp,gas 293.27 J/mol×K 919.22 Calculated Property
Cp,gas 303.87 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [287.68; 417.73] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42227e+01
Coefficient B-3.21450e+03
Coefficient C-5.70070e+01
Temperature range, min.287.68
Temperature range, max.417.73
Pvap 1.33 kPa 287.68 Calculated Property
Pvap 3.03 kPa 302.13 Calculated Property
Pvap 6.29 kPa 316.58 Calculated Property
Pvap 12.08 kPa 331.03 Calculated Property
Pvap 21.75 kPa 345.48 Calculated Property
Pvap 37.00 kPa 359.93 Calculated Property
Pvap 59.99 kPa 374.38 Calculated Property
Pvap 93.25 kPa 388.83 Calculated Property
Pvap 139.70 kPa 403.28 Calculated Property
Pvap 202.63 kPa 417.73 Calculated Property
Pvap [1.37; 3391.50] kPa [287.15; 584.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A9.12345e+01
Coefficient B-7.82974e+03
Coefficient C-1.13601e+01
Coefficient D7.81191e-06
Coefficient E0.00000e+00
Temperature range, min.287.15
Temperature range, max.584.00
Pvap 1.37 kPa 287.15 Calculated Property
Pvap 7.72 kPa 320.13 Calculated Property
Pvap 29.60 kPa 353.12 Calculated Property
Pvap 86.33 kPa 386.10 Calculated Property
Pvap 206.53 kPa 419.08 Calculated Property
Pvap 427.27 kPa 452.07 Calculated Property
Pvap 793.63 kPa 485.05 Calculated Property
Pvap 1360.34 kPa 518.03 Calculated Property
Pvap 2196.17 kPa 551.02 Calculated Property
Pvap 3391.50 kPa 584.00 Calculated Property

Similar Compounds

Propyl sulfide. Propane, 1,3-bis(ethylthio)-. 2,6-dithiaoctane. Propane, 1-[(1-methylethyl)thio]-. 2-[Propylthio]ethanal. 2,6-dithianonane. 3,6-dithianonane. Propane, 1-(methylthio)-. 4-thia-1-heptyne. Propane, 2-methyl-1-(propylthio)-. 2,5-dithiaoctane. Propane, 1-(ethylthio)-2-methyl-. 3-Thia-1-hexanethiol. Butane, 1-(ethylthio)-. t-Butyl n-propyl sulfide.

Find more compounds similar to Propane, 1-(ethylthio)-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.