Chemical Properties of 2-Thiophenecarboxylic acid, 5-methyl- (CAS 1918-79-2)

InChI

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

InChI Key

VCNGNQLPFHVODE-UHFFFAOYSA-N

Formula

C6H6O2S

SMILES

Cc1ccc(C(=O)O)s1

Molecular Weight¹

142.18

CAS

1918-79-2

Other Names

• 2-Carboxy-5-methylthiophene
• 2-Methyl-5-thiophenecarboxylic acid
• 5-Methyl-2-thiophenecarboxylic acid
• 5-Methyl-2-thiophenecarboxylic acid (keto form)
• 5-Methyl-2-thiophenecaroboxylic acid
• 5-Methylthiophen-2-carboxylic acid
• 5-methylthiophene-2-carboxylic acid

• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ΔsubH°	101.90 ± 0.30	kJ/mol	NIST
ΔvapH°	79.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
logPoct/wat	1.755		Crippen Calculated Property
McVol	99.730	ml/mol	McGowan Calculated Property
Pc	4571.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[1255.00; 1255.00]
Inp	1255.00		NIST
Inp	1255.00		NIST
Tboil	542.25	K	Relay (1.0) Calculated Property
Tc	764.92	K	Relay (1.0) Calculated Property
Tfus	413.37	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	100.40 ± 0.30	kJ/mol	327.00	NIST
Pvap	[8.80e-05; 1.05e-03]	kPa	[316.29; 338.11]
Pvap	9.00e-05	kPa	316.29	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	8.80e-05	kPa	316.29	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	8.90e-05	kPa	316.29	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.13e-04	kPa	318.25	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.12e-04	kPa	318.25	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.10e-04	kPa	318.25	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.39e-04	kPa	320.12	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.39e-04	kPa	320.12	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.39e-04	kPa	320.12	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.83e-04	kPa	322.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.80e-04	kPa	322.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.80e-04	kPa	322.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.29e-04	kPa	324.24	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.26e-04	kPa	324.24	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.22e-04	kPa	324.24	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.73e-04	kPa	326.12	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.78e-04	kPa	326.12	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	2.76e-04	kPa	326.12	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	3.41e-04	kPa	328.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	3.56e-04	kPa	328.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	3.55e-04	kPa	328.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	4.41e-04	kPa	330.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	4.39e-04	kPa	330.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	4.27e-04	kPa	330.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	5.40e-04	kPa	332.11	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	5.39e-04	kPa	332.11	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	5.39e-04	kPa	332.11	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	7.00e-04	kPa	334.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	6.97e-04	kPa	334.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	6.90e-04	kPa	334.28	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	8.59e-04	kPa	336.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	8.55e-04	kPa	336.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	8.43e-04	kPa	336.22	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.05e-03	kPa	338.11	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.05e-03	kPa	338.11	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
Pvap	1.03e-03	kPa	338.11	Thermochemical properties of three 2-thiophenecarboxylic acid derivatives

Similar Compounds

Find more compounds similar to 2-Thiophenecarboxylic acid, 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
• Thermochemical properties of three 2-thiophenecarboxylic acid derivatives
• McGowan Method
• NIST Webbook

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