Chemical Properties of Thiophene, 2-ethyl-5-methyl- (CAS 40323-88-4)

InChI

InChI=1S/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3

InChI Key

VOIVNYVBGCJFRW-UHFFFAOYSA-N

Formula

C7H10S

SMILES

CCc1ccc(C)s1

Molecular Weight¹

126.22

CAS

40323-88-4

Other Names

• 2-Methyl-5-ethyl-thiophene
• 2-Ethyl-5-methylthiophene

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	46.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
logPoct/wat	2.619		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property
Pc	3309.44	kPa	Relay (1.0-beta) Calculated Property
Inp	[944.00; 967.00]
Inp	967.00		NIST
Inp	967.00		NIST
Inp	959.00		NIST
Inp	957.00		NIST
Inp	952.00		NIST
Inp	951.00		NIST
Inp	944.00		NIST
Inp	945.00		NIST
Inp	944.00		NIST
Inp	945.00		NIST
Inp	957.00		NIST
Inp	967.00		NIST
Tboil	[433.20; 433.30]	K
Tboil	433.30 ± 2.00	K	NIST
Tboil	433.20 ± 1.50	K	NIST
Tboil	433.30 ± 1.50	K	NIST
Tc	629.38	K	Relay (1.0) Calculated Property
Tfus	[199.00; 204.70]	K
Tfus	199.00 ± 1.00	K	NIST
Tfus	203.80 ± 1.50	K	NIST
Tfus	204.70 ± 0.80	K	NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Similar Compounds

Find more compounds similar to Thiophene, 2-ethyl-5-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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.
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