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

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-Dimethyl thiophene
• 2,4-Dimethylthiophene

• ω : Acentric Factor.
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_c : Critical Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2955		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔvapH°	42.18	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.365		Crippen Calculated Property
McVol	92.290	ml/mol	McGowan Calculated Property
Pc	4014.50	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[855.80; 903.00]
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
Ip	[1181.00; 1253.00]
Ip	1244.00		NIST
Ip	1253.00		NIST
Ip	1240.00		NIST
Ip	1197.00		NIST
Ip	1181.00		NIST
Ip	1190.00		NIST
Ip	1231.00		NIST
Ip	1194.00		NIST
Ip	1197.00		NIST
Ip	1194.00		NIST
Ip	1197.00		NIST
Ip	1250.00		NIST
Ip	1230.00		NIST
Ip	1244.00		NIST
Ip	1250.00		NIST
Tc	631.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.332	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[304.18; 433.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47364e+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

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

Sources

• 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)
• Crippen Method
• Crippen Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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