Chemical Properties of Isobutylene epoxide (CAS 558-30-5)

InChI

InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3

InChI Key

GELKGHVAFRCJNA-UHFFFAOYSA-N

Formula

C4H8O

SMILES

CC1(C)CO1

Molecular Weight¹

72.11

CAS

558-30-5

Other Names

• 1,1-Dimethylethylene oxide
• 1,2-Epoxyisobutane
• 1,2-Isobutylene oxide
• 1,2-epoxy-2-methylpropane
• 2,2-dimethyloxirane
• 2-Methyl-1-propene oxide
• 2-methyl-1,2-epoxypropane
• Isobutene oxide
• NSC 24249
• Propane, 1,2-epoxy-2-methyl-
• isobutylene oxide
• oxirane, 2,2-dimethyl-

• 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).
• 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).
• 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
ΔfG°	-48.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.85	kJ/mol	Joback Calculated Property
ΔfusH°	5.93	kJ/mol	Joback Calculated Property
ΔvapH°	27.77	kJ/mol	Joback Calculated Property
IE	[10.00; 10.00]	eV
IE	10.00	eV	NIST
IE	10.00	eV	NIST
log10WS	-0.59		Crippen Calculated Property
logPoct/wat	0.795		Crippen Calculated Property
McVol	62.230	ml/mol	McGowan Calculated Property
Pc	4350.00	kPa	Critica...
Inp	[500.00; 535.00]
Inp	534.40		NIST
Inp	534.70		NIST
Inp	535.00		NIST
Inp	507.00		NIST
Inp	510.00		NIST
Inp	500.00		NIST
Inp	500.00		NIST
Inp	500.00		NIST
Inp	513.00		NIST
Inp	534.40		NIST
Tboil	[323.15; 347.65]	K
Tboil	325.00	K	NIST
Tboil	325.20	K	NIST
Tboil	323.15 ± 1.50	K	NIST
Tboil	324.65 ± 2.00	K	NIST
Tboil	325.15 ± 3.00	K	NIST
Tboil	Outlier 347.65 ± 5.00	K	NIST
Tc	514.29	K	Joback Calculated Property
Tfus	207.00 ± 0.60	K	NIST
Vc	0.235	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.04; 151.05]	J/mol×K	[324.85; 514.29]
Cp,gas	100.04	J/mol×K	324.85	Joback Calculated Property
Cp,gas	110.66	J/mol×K	356.42	Joback Calculated Property
Cp,gas	120.32	J/mol×K	388.00	Joback Calculated Property
Cp,gas	129.11	J/mol×K	419.57	Joback Calculated Property
Cp,gas	137.11	J/mol×K	451.14	Joback Calculated Property
Cp,gas	144.40	J/mol×K	482.72	Joback Calculated Property
Cp,gas	151.05	J/mol×K	514.29	Joback Calculated Property
ΔvapH	30.60	kJ/mol	266.50	NIST

Similar Compounds

Find more compounds similar to Isobutylene epoxide.

Sources

• Crippen Method
• Crippen Method
• Effect of anion species on infinite dilution activity coefficients of epoxides in imidazolium-based ionic liquids
• Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.