Chemical Properties of Oxetane, 3,3-dimethyl- (CAS 6921-35-3)

InChI

InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3

InChI Key

RVGLUKRYMXEQAH-UHFFFAOYSA-N

Formula

C5H10O

SMILES

CC1(C)COC1

Molecular Weight¹

86.13

CAS

6921-35-3

Other Names

• .beta.-.beta.'-dimethyltrimethylene oxide
• 1,3-Epoxy-2,2-dimethylpropane
• 3,3-Dimethyltrimethylene oxide
• 3,3-dimethyloxetane
• Propane, 1,3-epoxy-2,2-dimethyl-
• «beta»,«beta»-Dimethyltrimethylene oxide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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
ΔcH°liquid	[-3214.50; -3140.20]	kJ/mol
ΔcH°liquid	-3214.50 ± 1.60	kJ/mol	NIST
ΔcH°liquid	-3140.20 ± 0.20	kJ/mol	NIST
ΔfG°	-51.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-148.20 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-182.20 ± 1.60	kJ/mol	NIST
ΔfusH°	6.42	kJ/mol	Joback Calculated Property
ΔvapH°	[33.90; 34.07]	kJ/mol
ΔvapH°	34.07	kJ/mol	NIST
ΔvapH°	33.94 ± 0.29	kJ/mol	NIST
ΔvapH°	34.00	kJ/mol	NIST
ΔvapH°	33.90 ± 0.30	kJ/mol	NIST
log10WS	-0.66		Crippen Calculated Property
logPoct/wat	1.043		Crippen Calculated Property
McVol	76.320	ml/mol	McGowan Calculated Property
Pc	4403.25	kPa	Joback Calculated Property
Inp	[648.00; 666.00]
Inp	666.00		NIST
Inp	648.00		NIST
Tboil	[349.65; 353.70]	K
Tboil	352.80	K	Isobari...
Tboil	353.70	K	NIST
Tboil	349.65 ± 2.00	K	NIST
Tc	549.87	K	Joback Calculated Property
Tfus	211.00	K	Joback Calculated Property
Vc	0.283	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.49; 193.40]	J/mol×K	[352.00; 549.87]
T(K) Ideal gas heat capacity (J/mol×K) 130 140 150 160 170 180 190 400 500
Cp,gas	131.49	J/mol×K	352.00	Joback Calculated Property
Cp,gas	144.07	J/mol×K	384.98	Joback Calculated Property
Cp,gas	155.64	J/mol×K	417.96	Joback Calculated Property
Cp,gas	166.26	J/mol×K	450.93	Joback Calculated Property
Cp,gas	176.04	J/mol×K	483.91	Joback Calculated Property
Cp,gas	185.06	J/mol×K	516.89	Joback Calculated Property
Cp,gas	193.40	J/mol×K	549.87	Joback Calculated Property
ΔvapH	30.85	kJ/mol	353.70	NIST
Pvap	101.30	kPa	352.80	Isobari...

Similar Compounds

Find more compounds similar to Oxetane, 3,3-dimethyl-.

Mixtures

• Oxetane, 3,3-dimethyl- + Cyclohexane, methyl-

Sources

• Crippen Method
• Crippen Method
• Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa
• Joback Method
• McGowan Method
• NIST Webbook

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