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	191.14	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.63; 335.33]	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			-3.12300e+01
Coefficient B			7.01160e-01
Coefficient C			-4.56700e-04
Coefficient D			1.22100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.63	J/mol×K	273.00	Calculated Property
Cp,gas	165.07	J/mol×K	353.78	Calculated Property
Cp,gas	197.24	J/mol×K	434.56	Calculated Property
Cp,gas	225.53	J/mol×K	515.33	Calculated Property
Cp,gas	250.32	J/mol×K	596.11	Calculated Property
Cp,gas	271.99	J/mol×K	676.89	Calculated Property
Cp,gas	290.95	J/mol×K	757.67	Calculated Property
Cp,gas	307.57	J/mol×K	838.44	Calculated Property
Cp,gas	322.23	J/mol×K	919.22	Calculated Property
Cp,gas	335.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009543; 0.0003232]	Pa×s	[182.65; 384.68]	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			-9.01622e+00
Coefficient B			3.76560e+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.			182.65
Temperature range, max.			384.68
η	0.0009543	Pa×s	182.65	Calculated Property
η	0.0007615	Pa×s	205.10	Calculated Property
η	0.0006353	Pa×s	227.55	Calculated Property
η	0.0005476	Pa×s	249.99	Calculated Property
η	0.0004837	Pa×s	272.44	Calculated Property
η	0.0004354	Pa×s	294.89	Calculated Property
η	0.0003978	Pa×s	317.34	Calculated Property
η	0.0003678	Pa×s	339.79	Calculated Property
η	0.0003434	Pa×s	362.24	Calculated Property
η	0.0003232	Pa×s	384.68	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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.