Chemical Properties of 2-(1,1-Dimethylethyl)-3-methyloxirene

InChI

InChI=1S/C7H12O/c1-5-6(8-5)7(2,3)4/h1-4H3

InChI Key

WFKRADMNVAKTTM-UHFFFAOYSA-N

Formula

C7H12O

SMILES

CC1=C(C(C)(C)C)O1

Molecular Weight¹

112.17

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.96	kJ/mol	Joback Calculated Property
logPoct/wat	2.294		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
I	[1246.00; 1246.00]
I	1246.00		NIST
I	1246.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[142.80; 337.15]	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			-3.04300e+01
Coefficient B			7.94080e-01
Coefficient C			-6.43700e-04
Coefficient D			2.17200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.80	J/mol×K	273.00	Calculated Property
Cp,gas	179.55	J/mol×K	353.78	Calculated Property
Cp,gas	210.91	J/mol×K	434.56	Calculated Property
Cp,gas	237.56	J/mol×K	515.33	Calculated Property
Cp,gas	260.20	J/mol×K	596.11	Calculated Property
Cp,gas	279.51	J/mol×K	676.89	Calculated Property
Cp,gas	296.17	J/mol×K	757.67	Calculated Property
Cp,gas	310.87	J/mol×K	838.44	Calculated Property
Cp,gas	324.30	J/mol×K	919.22	Calculated Property
Cp,gas	337.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019723; 0.0003801]	Pa×s	[245.62; 421.07]	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			-1.01800e+01
Coefficient B			9.70540e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			245.62
Temperature range, max.			421.07
η	0.0019723	Pa×s	245.62	Calculated Property
η	0.0014750	Pa×s	265.11	Calculated Property
η	0.0011478	Pa×s	284.61	Calculated Property
η	0.0009225	Pa×s	304.10	Calculated Property
η	0.0007611	Pa×s	323.60	Calculated Property
η	0.0006419	Pa×s	343.09	Calculated Property
η	0.0005513	Pa×s	362.58	Calculated Property
η	0.0004809	Pa×s	382.08	Calculated Property
η	0.0004251	Pa×s	401.57	Calculated Property
η	0.0003801	Pa×s	421.07	Calculated Property

Similar Compounds

Find more compounds similar to 2-(1,1-Dimethylethyl)-3-methyloxirene.

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

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