Chemical Properties of Oxirane, (3,3-dimethylbutyl)-

InChI

InChI=1S/C8H16O/c1-8(2,3)5-4-7-6-9-7/h7H,4-6H2,1-3H3

InChI Key

WAHCIOYRXXNHEZ-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CC(C)(C)CCC1CO1

Molecular Weight¹

128.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[167.65; 432.78]	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			-6.17780e+01
Coefficient B			1.03756e+00
Coefficient C			-7.89500e-04
Coefficient D			2.46500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.65	J/mol×K	273.00	Calculated Property
Cp,gas	217.39	J/mol×K	353.78	Calculated Property
Cp,gas	260.24	J/mol×K	434.56	Calculated Property
Cp,gas	296.98	J/mol×K	515.33	Calculated Property
Cp,gas	328.39	J/mol×K	596.11	Calculated Property
Cp,gas	355.25	J/mol×K	676.89	Calculated Property
Cp,gas	378.34	J/mol×K	757.67	Calculated Property
Cp,gas	398.44	J/mol×K	838.44	Calculated Property
Cp,gas	416.33	J/mol×K	919.22	Calculated Property
Cp,gas	432.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036221; 0.0004561]	Pa×s	[226.85; 422.44]	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			-1.00963e+01
Coefficient B			1.01529e+03
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.			226.85
Temperature range, max.			422.44
η	0.0036221	Pa×s	226.85	Calculated Property
η	0.0024493	Pa×s	248.58	Calculated Property
η	0.0017637	Pa×s	270.31	Calculated Property
η	0.0013337	Pa×s	292.05	Calculated Property
η	0.0010483	Pa×s	313.78	Calculated Property
η	0.0008501	Pa×s	335.51	Calculated Property
η	0.0007072	Pa×s	357.24	Calculated Property
η	0.0006008	Pa×s	378.97	Calculated Property
η	0.0005196	Pa×s	400.70	Calculated Property
η	0.0004561	Pa×s	422.44	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, (3,3-dimethylbutyl)-.

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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