Chemical Properties of Thiazole (CAS 288-47-1)

InChI

InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

InChI Key

FZWLAAWBMGSTSO-UHFFFAOYSA-N

Formula

C3H3NS

SMILES

c1cscn1

Molecular Weight¹

85.13

CAS

288-47-1

Other Names

• 1,3-thiazole

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2174		Relay (1.0) Calculated Property
PAff	904.00	kJ/mol	NIST
BasG	872.10	kJ/mol	NIST
Cp,liquid	122.10	J/mol×K	Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
ΔfG°	185.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	168.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	45.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	NIST
log10WS	0.30		Relay (1.0) Calculated Property
logPoct/wat	1.143		Crippen Calculated Property
McVol	60.000	ml/mol	McGowan Calculated Property
Pc	6467.92	kPa	Relay (1.0-beta) Calculated Property
Inp	[686.00; 760.00]
Inp	760.00		NIST
Inp	760.00		NIST
Inp	729.00		NIST
Inp	735.00		NIST
Inp	705.00		NIST
Inp	709.00		NIST
Inp	739.00		NIST
Inp	730.00		NIST
Inp	730.00		NIST
Inp	706.00		NIST
Inp	686.00		NIST
Inp	707.00		NIST
Inp	707.00		NIST
Inp	707.00		NIST
Inp	707.00		NIST
Inp	694.00		NIST
Inp	740.00		NIST
Inp	735.00		NIST
Inp	760.00		NIST
Inp	711.00		NIST
Inp	728.00		NIST
Inp	726.00		NIST
Inp	709.00		NIST
Inp	703.00		NIST
Inp	716.00		NIST
Inp	742.00		NIST
Inp	745.00		NIST
Inp	707.00		NIST
Inp	705.00		NIST
Inp	709.00		NIST
Inp	715.00		NIST
Inp	735.00		NIST
Inp	740.00		NIST
Inp	688.00		NIST
Inp	760.00		NIST
I	[1210.00; 1270.00]
I	1259.00		NIST
I	1238.00		NIST
I	Outlier 1210.00		NIST
I	1244.00		NIST
I	1252.00		NIST
I	1265.00		NIST
I	1249.00		NIST
I	1262.00		NIST
I	1229.00		NIST
I	1270.00		NIST
I	1270.00		NIST
I	1270.00		NIST
I	1239.00		NIST
I	1248.00		NIST
I	1247.00		NIST
I	1240.00		NIST
I	1235.00		NIST
I	1239.00		NIST
I	1235.00		NIST
I	1240.00		NIST
I	1262.00		NIST
I	1260.00		NIST
I	1246.00		NIST
I	1246.00		NIST
I	1262.00		NIST
S°liquid	[169.95; 169.95]	J/mol×K
S°liquid	169.95	J/mol×K	NIST
S°liquid	169.95	J/mol×K	NIST
Tboil	[390.70; 391.39]	K
Tboil	390.70	K	NIST
Tboil	391.39 ± 0.20	K	NIST
Tc	636.40	K	Relay (1.0) Calculated Property
Tfus	239.58 ± 0.05	K	NIST
Ttriple	[239.48; 239.53]	K
Ttriple	239.53 ± 0.02	K	NIST
Ttriple	239.48 ± 0.02	K	NIST
Vc	0.207	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[121.00; 121.00]	J/mol×K	[298.15; 298.15]
Cp,liquid	121.00	J/mol×K	298.15	NIST
Cp,liquid	121.00	J/mol×K	298.15	NIST
ΔfusH	[9.54; 9.59]	kJ/mol	[239.40; 239.53]
ΔfusH	9.58	kJ/mol	239.40	NIST
ΔfusH	9.59	kJ/mol	239.48	NIST
ΔfusH	9.54	kJ/mol	239.53	NIST
ΔvapH	[38.90; 39.70]	kJ/mol	[363.00; 363.50]
ΔvapH	39.70	kJ/mol	363.00	NIST
ΔvapH	38.90	kJ/mol	363.50	NIST
ΔfusS	[40.04; 40.04]	J/mol×K	[239.48; 239.53]
ΔfusS	40.04	J/mol×K	239.48	NIST
ΔfusS	40.04	J/mol×K	239.53	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[288.81; 416.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47286e+01
Coefficient B			-3.45024e+03
Coefficient C			-4.98900e+01
Temperature range, min.			288.81
Temperature range, max.			416.27
Pvap	1.33	kPa	288.81	Calculated Property
Pvap	2.99	kPa	302.97	Calculated Property
Pvap	6.16	kPa	317.13	Calculated Property
Pvap	11.80	kPa	331.30	Calculated Property
Pvap	21.23	kPa	345.46	Calculated Property
Pvap	36.20	kPa	359.62	Calculated Property
Pvap	58.92	kPa	373.78	Calculated Property
Pvap	92.06	kPa	387.95	Calculated Property
Pvap	138.77	kPa	402.11	Calculated Property
Pvap	202.65	kPa	416.27	Calculated Property

Similar Compounds

Find more compounds similar to Thiazole.

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
• Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
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