Chemical Properties of 3-Methyl-2-thiophenecarboxylic acid (CAS 23806-24-8)

InChI

InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)

InChI Key

IFLKEBSJTZGCJG-UHFFFAOYSA-N

Formula

C6H6O2S

SMILES

Cc1ccsc1C(=O)O

Molecular Weight¹

142.18

CAS

23806-24-8

Other Names

• 2-Thiophenecarboxylic acid, 3-methyl-
• 3-Methylthiophene-2-carboxylic acid
• 3-methyl-2-thenoic acid
• Methyl 2-thiophenecarboxylate

• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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
ΔsubH	96.70 ± 0.40	kJ/mol	323.00	NIST
Pvap	[1.02e-04; 1.19e-03]	kPa	[312.13; 334.20]
Pvap	1.04e-04	kPa	312.13	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.02e-04	kPa	312.13	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.02e-04	kPa	312.13	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.29e-04	kPa	314.20	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.30e-04	kPa	314.20	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.26e-04	kPa	314.20	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.64e-04	kPa	316.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.62e-04	kPa	316.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.59e-04	kPa	316.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.09e-04	kPa	318.13	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.05e-04	kPa	318.13	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.04e-04	kPa	318.13	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.64e-04	kPa	320.19	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.61e-04	kPa	320.19	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.54e-04	kPa	320.19	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	3.23e-04	kPa	322.21	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	3.20e-04	kPa	322.21	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	3.14e-04	kPa	322.21	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	4.12e-04	kPa	324.14	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	4.07e-04	kPa	324.14	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	4.18e-04	kPa	324.14	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	5.07e-04	kPa	326.18	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	5.03e-04	kPa	326.18	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	5.07e-04	kPa	326.18	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	6.36e-04	kPa	328.21	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	6.30e-04	kPa	328.21	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	6.30e-04	kPa	328.21	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	7.98e-04	kPa	330.15	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	7.86e-04	kPa	330.15	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	7.69e-04	kPa	330.15	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	9.84e-04	kPa	332.23	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	9.72e-04	kPa	332.23	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	9.40e-04	kPa	332.23	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.19e-03	kPa	334.20	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.17e-03	kPa	334.20	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.15e-03	kPa	334.20	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives

Similar Compounds

Find more compounds similar to 3-Methyl-2-thiophenecarboxylic acid.

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
• Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
• McGowan Method
• NIST Webbook

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