Chemical Properties of 2-Isopropyl-1,3-oxazol-2-ine (CAS 10431-99-9)

InChI

InChI=1S/C6H11NO/c1-5(2)6-7-3-4-8-6/h5H,3-4H2,1-2H3

InChI Key

FVEZUCIZWRDMSJ-UHFFFAOYSA-N

Formula

C6H11NO

SMILES

CC(C)C1=NCCO1

Molecular Weight¹

113.16

CAS

10431-99-9

Other Names

• 2-Oxazoline, 2-isopropyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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 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.
• 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	0.3472		Relay (1.0) Calculated Property
ΔfG°	92.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-163.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.59	kJ/mol	Joback Calculated Property
ΔvapH°	42.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-0.56		Relay (1.0) Calculated Property
logPoct/wat	1.071		Crippen Calculated Property
McVol	96.090	ml/mol	McGowan Calculated Property
Pc	4109.14	kPa	Joback Calculated Property
Inp	[802.00; 802.00]
Inp	802.00		NIST
Inp	802.00		NIST
Tboil	411.52	K	Relay (1.0) Calculated Property
Tc	637.52	K	Relay (1.0) Calculated Property
Tfus	224.34	K	Relay (1.0) Calculated Property
Vc	0.362	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[204.58; 277.90]	J/mol×K	[440.98; 659.80]
Cp,gas	204.58	J/mol×K	440.98	Joback Calculated Property
Cp,gas	218.54	J/mol×K	477.45	Joback Calculated Property
Cp,gas	231.78	J/mol×K	513.92	Joback Calculated Property
Cp,gas	244.33	J/mol×K	550.39	Joback Calculated Property
Cp,gas	256.20	J/mol×K	586.86	Joback Calculated Property
Cp,gas	267.38	J/mol×K	623.33	Joback Calculated Property
Cp,gas	277.90	J/mol×K	659.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Isopropyl-1,3-oxazol-2-ine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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