Chemical Properties of Thiophene, 2,4-dimethyl- (CAS 638-00-6)

Thiophene, 2,4-dimethyl-

InChI
InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChI Key
CPULIKNSOUFMPL-UHFFFAOYSA-N
Formula
C6H8S
SMILES
Cc1csc(C)c1
Molecular Weight1
112.19
CAS
638-00-6
Other Names
  • 2,4-Dimethylthiophene
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
ΔvapH° 40.67 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.365 Crippen Calculated Property
McVol 92.290 ml/mol McGowan Calculated Property
Inp [855.80; 903.00]   Show Hide
Inp 882.00 NIST
Inp 875.00 NIST
Inp 855.80 NIST
Inp 860.00 NIST
Inp 880.00 NIST
Inp 862.00 NIST
Inp 857.00 NIST
Inp 885.00 NIST
Inp 878.00 NIST
Inp 859.00 NIST
Inp 859.00 NIST
Inp 859.00 NIST
Inp 859.00 NIST
Inp Outlier 903.00 NIST
Inp 863.00 NIST
Inp 860.00 NIST
Inp 882.00 NIST
Inp 862.00 NIST
Inp 859.00 NIST
I [1181.00; 1253.00]   Show Hide
I 1244.00 NIST
I 1253.00 NIST
I 1240.00 NIST
I 1197.00 NIST
I 1181.00 NIST
I 1190.00 NIST
I 1231.00 NIST
I 1194.00 NIST
I 1197.00 NIST
I 1194.00 NIST
I 1197.00 NIST
I 1250.00 NIST
I 1230.00 NIST
I 1244.00 NIST
I 1250.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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
ΔvapH 41.40 kJ/mol 408.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [304.18; 433.87] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47364e+01
Coefficient B-3.51538e+03
Coefficient C-6.08830e+01
Temperature range, min.304.18
Temperature range, max.433.87
Pvap 1.33 kPa 304.18 Calculated Property
Pvap 2.99 kPa 318.59 Calculated Property
Pvap 6.16 kPa 333.00 Calculated Property
Pvap 11.79 kPa 347.41 Calculated Property
Pvap 21.22 kPa 361.82 Calculated Property
Pvap 36.19 kPa 376.23 Calculated Property
Pvap 58.90 kPa 390.64 Calculated Property
Pvap 92.04 kPa 405.05 Calculated Property
Pvap 138.76 kPa 419.46 Calculated Property
Pvap 202.65 kPa 433.87 Calculated Property

Similar Compounds

4-Methyl-2-carboxaldehyde-thiophene. 2-Ethyl-4-methylthiophene. Thiophene, 2,4-diethyl. Thiophene, 2,3,4-trimethyl-. Thiophene, 2,3-dimethyl-. Ethanone, 1-(4-methyl-2-thienyl)-. 2,3,5-Trimethylthiophene. Thiophene, 4-methyl-2-propyl. Thiophene, 2-methyl-. Methyl 2,4-dimethyl-3-thienyl disulfide. Thiophene, 2-butyl-4-methyl. Thiophene, 3,5-dimethyl-2-(methylthio)-. Benzo[b]thiophene, 2,5,7-trimethyl-. Thiophene, 3-methyl-. 3-methyl-2-thiophenemethanethiol.

Find more compounds similar to Thiophene, 2,4-dimethyl-.

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.