Chemical Properties of Thiazole-5-ethanol, 4-methyl, acetate (CAS 656-53-1)

InChI

InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3

InChI Key

CRTCWNPLKVVXIX-UHFFFAOYSA-N

Formula

C8H11NO2S

SMILES

CC(=O)OCCc1scnc1C

Molecular Weight¹

185.24

CAS

656-53-1

Other Names

• 2-(4-methylthiazol-5-yl)ethyl acetate

• 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_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	0.5168		Relay (1.0) Calculated Property
ΔfG°	-93.46	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-307.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-1.23		Relay (1.0) Calculated Property
logPoct/wat	1.557		Crippen Calculated Property
McVol	137.890	ml/mol	McGowan Calculated Property
Pc	3248.72	kPa	Relay (1.0-beta) Calculated Property
Inp	1368.00		NIST
I	[2077.00; 2077.00]
I	2077.00		NIST
I	2077.00		NIST
Tboil	518.96	K	Relay (1.0) Calculated Property
Tc	729.80	K	Relay (1.0) Calculated Property
Tfus	279.54	K	Relay (1.0) Calculated Property
Vc	0.504	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiazole-5-ethanol, 4-methyl, acetate.

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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