Chemical Properties of 4-Methylthiazole (CAS 693-95-8)

InChI

InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3

InChI Key

QMHIMXFNBOYPND-UHFFFAOYSA-N

Formula

C4H5NS

SMILES

Cc1cscn1

Molecular Weight¹

99.15

CAS

693-95-8

Other Names

• Thiazole, 4-methyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2574		Relay (1.0) Calculated Property
ΔcH°liquid	-2958.80 ± 0.59	kJ/mol	NIST
ΔfG°	174.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	111.80 ± 0.88	kJ/mol	NIST
ΔfH°liquid	67.91 ± 0.75	kJ/mol	NIST
ΔvapH°	[43.80; 43.80]	kJ/mol
ΔvapH°	43.80 ± 0.20	kJ/mol	NIST
ΔvapH°	43.80 ± 0.20	kJ/mol	NIST
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-0.06		Relay (1.0) Calculated Property
logPoct/wat	1.452		Crippen Calculated Property
McVol	74.090	ml/mol	McGowan Calculated Property
Pc	5668.09	kPa	Relay (1.0-beta) Calculated Property
Inp	[777.00; 861.00]
Inp	831.00		NIST
Inp	831.00		NIST
Inp	811.00		NIST
Inp	802.00		NIST
Inp	786.00		NIST
Inp	786.00		NIST
Inp	836.00		NIST
Inp	Outlier 861.00		NIST
Inp	Outlier 861.00		NIST
Inp	789.00		NIST
Inp	793.00		NIST
Inp	777.00		NIST
Inp	821.00		NIST
Inp	836.00		NIST
Inp	836.00		NIST
Inp	828.00		NIST
Inp	823.00		NIST
Inp	823.00		NIST
Inp	830.00		NIST
Inp	830.00		NIST
Inp	798.00		NIST
Inp	791.00		NIST
Inp	786.00		NIST
Inp	786.00		NIST
Inp	800.00		NIST
Inp	795.00		NIST
Inp	821.00		NIST
I	[1263.00; 1312.00]
I	1288.00		NIST
I	1278.00		NIST
I	1280.00		NIST
I	1284.00		NIST
I	1265.00		NIST
I	1265.00		NIST
I	1297.00		NIST
I	Outlier 1312.00		NIST
I	1297.00		NIST
I	1287.00		NIST
I	1304.00		NIST
I	1304.00		NIST
I	1278.00		NIST
I	1279.00		NIST
I	1270.00		NIST
I	1274.00		NIST
I	1270.00		NIST
I	1272.00		NIST
I	1286.00		NIST
I	1284.00		NIST
I	1263.00		NIST
I	1265.00		NIST
I	1287.00		NIST
I	1270.00		NIST
I	1278.00		NIST
Tboil	[406.36; 406.70]	K
Tboil	406.70	K	NIST
Tboil	406.36 ± 0.25	K	NIST
Tc	629.53	K	Relay (1.0) Calculated Property
Tfus	229.02 ± 0.05	K	NIST
Vc	0.252	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[8.90; 8.90]	kJ/mol	[229.10; 229.10]
ΔfusH	8.90	kJ/mol	229.10	NIST
ΔfusH	8.90	kJ/mol	229.10	NIST
ΔvapH	40.80	kJ/mol	377.00	NIST

Similar Compounds

Find more compounds similar to 4-Methylthiazole.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.