Chemical Properties of Thiazole, 2-methyl-4-phenyl- (CAS 1826-16-0)

InChI

InChI=1S/C10H9NS/c1-8-11-10(7-12-8)9-5-3-2-4-6-9/h2-7H,1H3

InChI Key

XROORURTAQOYLW-UHFFFAOYSA-N

Formula

C10H9NS

SMILES

Cc1nc(-c2ccccc2)cs1

Molecular Weight¹

175.25

CAS

1826-16-0

Other Names

• 2-methyl-4-phenylthiazole

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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 : 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	0.3684		Relay (1.0) Calculated Property
ΔfG°	264.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	217.30	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	3.119		Crippen Calculated Property
McVol	134.870	ml/mol	McGowan Calculated Property
Pc	4112.01	kPa	Relay (1.0-beta) Calculated Property
I	[2279.00; 2279.00]
I	2279.00		NIST
I	2279.00		NIST
Tboil	543.36	K	Relay (1.0) Calculated Property
Tc	792.10	K	Relay (1.0) Calculated Property
Tfus	292.60	K	Relay (1.0) Calculated Property
Vc	0.495	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiazole, 2-methyl-4-phenyl-.

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

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