Chemical Properties of Oxetane, 3-methyl

InChI

InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3

InChI Key

VJQHJNIGWOABDZ-UHFFFAOYSA-N

Formula

C4H8O

SMILES

CC1COC1

Molecular Weight¹

72.11

Other Names

• 3-Methyl-oxetane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.2731		Relay (1.0) Calculated Property
ΔfG°	-54.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-126.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.13	kJ/mol	Joback Calculated Property
ΔvapH°	29.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-0.08		Relay (1.0) Calculated Property
logPoct/wat	0.653		Crippen Calculated Property
McVol	62.230	ml/mol	McGowan Calculated Property
Pc	4717.12	kPa	Joback Calculated Property
Inp	[583.00; 614.00]
Inp	614.00		NIST
Inp	583.00		NIST
Inp	583.00		NIST
Tboil	324.94	K	Relay (1.0) Calculated Property
Tc	505.15	K	Relay (1.0) Calculated Property
Tfus	138.45	K	Relay (1.0) Calculated Property
Vc	0.223	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[79.36; 226.73]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.87900e+01
Coefficient B			5.22120e-01
Coefficient C			-3.53700e-04
Coefficient D			9.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	79.36	J/mol×K	273.00	Calculated Property
Cp,gas	105.96	J/mol×K	353.78	Calculated Property
Cp,gas	129.28	J/mol×K	434.56	Calculated Property
Cp,gas	149.63	J/mol×K	515.33	Calculated Property
Cp,gas	167.33	J/mol×K	596.11	Calculated Property
Cp,gas	182.68	J/mol×K	676.89	Calculated Property
Cp,gas	195.99	J/mol×K	757.67	Calculated Property
Cp,gas	207.56	J/mol×K	838.44	Calculated Property
Cp,gas	217.71	J/mol×K	919.22	Calculated Property
Cp,gas	226.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015598; 0.0002599]	Pa×s	[175.83; 362.77]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.94085e+00
Coefficient B			6.11480e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			175.83
Temperature range, max.			362.77
η	0.0015598	Pa×s	175.83	Calculated Property
η	0.0010802	Pa×s	196.60	Calculated Property
η	0.0008025	Pa×s	217.37	Calculated Property
η	0.0006279	Pa×s	238.14	Calculated Property
η	0.0005110	Pa×s	258.92	Calculated Property
η	0.0004288	Pa×s	279.69	Calculated Property
η	0.0003686	Pa×s	300.46	Calculated Property
η	0.0003232	Pa×s	321.23	Calculated Property
η	0.0002879	Pa×s	342.00	Calculated Property
η	0.0002599	Pa×s	362.77	Calculated Property

Similar Compounds

Find more compounds similar to Oxetane, 3-methyl.

Sources

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

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