Chemical Properties of Oxirane, 2-methyl-3-(1-methylethyl)- (CAS 1192-31-0)

InChI

InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3

InChI Key

AYTCGOOJNRZGBU-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC(C)C1OC1C

Molecular Weight¹

100.16

CAS

1192-31-0

Other Names

• Pentane, 2,3-epoxy-4-methyl-
• trans-4-methyl-2,3-epoxypentane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.96	kJ/mol	Joback Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
logPoct/wat	1.430		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Inp	[695.90; 696.60]
Inp	695.90		NIST
Inp	695.90		NIST
Inp	696.20		NIST
Inp	696.30		NIST
Inp	696.60		NIST
Tboil	376.58	K	Relay (1.0) Calculated Property
Tfus	196.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.90; 236.34]	J/mol×K	[365.26; 549.25]
Cp,gas	169.90	J/mol×K	365.26	Joback Calculated Property
Cp,gas	182.36	J/mol×K	395.92	Joback Calculated Property
Cp,gas	194.25	J/mol×K	426.59	Joback Calculated Property
Cp,gas	205.56	J/mol×K	457.25	Joback Calculated Property
Cp,gas	216.34	J/mol×K	487.92	Joback Calculated Property
Cp,gas	226.59	J/mol×K	518.58	Joback Calculated Property
Cp,gas	236.34	J/mol×K	549.25	Joback Calculated Property
η	[0.0003404; 0.0009543]	Pa×s	[182.65; 365.26]
η	0.0009543	Pa×s	182.65	Joback Calculated Property
η	0.0007109	Pa×s	213.09	Joback Calculated Property
η	0.0005700	Pa×s	243.52	Joback Calculated Property
η	0.0004800	Pa×s	273.95	Joback Calculated Property
η	0.0004184	Pa×s	304.39	Joback Calculated Property
η	0.0003739	Pa×s	334.82	Joback Calculated Property
η	0.0003404	Pa×s	365.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, 2-methyl-3-(1-methylethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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