Chemical Properties of 2,4,5-Trimethyl-3-oxazoline (CAS 22694-96-8)

InChI

InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3

InChI Key

YFSGRMONVCFYTC-UHFFFAOYSA-N

Formula

C6H11NO

SMILES

CC1=NC(C)OC1C

Molecular Weight¹

113.16

CAS

22694-96-8

Other Names

• Oxazole, 2,5-dihydro-2,4,5-trimethyl-
• 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole

• 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).
• 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
ΔfG°	79.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-141.75	kJ/mol	Joback Calculated Property
ΔfusH°	20.25	kJ/mol	Joback Calculated Property
ΔvapH°	40.57	kJ/mol	Joback Calculated Property
log10WS	-1.20		Crippen Calculated Property
logPoct/wat	1.212		Crippen Calculated Property
McVol	96.090	ml/mol	McGowan Calculated Property
Pc	3745.38	kPa	Joback Calculated Property
Inp	[819.00; 819.00]
Inp	819.00		NIST
Inp	819.00		NIST
I	[1124.00; 1124.00]
I	1124.00		NIST
I	1124.00		NIST
Tboil	432.08	K	Joback Calculated Property
Tc	644.93	K	Joback Calculated Property
Tfus	275.43	K	Joback Calculated Property
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.96; 281.70]	J/mol×K	[432.08; 644.93]
Cp,gas	205.96	J/mol×K	432.08	Joback Calculated Property
Cp,gas	220.06	J/mol×K	467.56	Joback Calculated Property
Cp,gas	233.57	J/mol×K	503.03	Joback Calculated Property
Cp,gas	246.50	J/mol×K	538.51	Joback Calculated Property
Cp,gas	258.83	J/mol×K	573.98	Joback Calculated Property
Cp,gas	270.57	J/mol×K	609.46	Joback Calculated Property
Cp,gas	281.70	J/mol×K	644.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trimethyl-3-oxazoline.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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