Chemical Properties of Oxirane, (2-methylpropyl)- (CAS 23850-78-4)

InChI

InChI=1S/C6H12O/c1-5(2)3-6-4-7-6/h5-6H,3-4H2,1-2H3

InChI Key

YXIOECOAAMLHPG-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC(C)CC1CO1

Molecular Weight¹

100.16

CAS

23850-78-4

Other Names

• Pentane, 1,2-epoxy-4-methyl-
• 1,2-Epoxy-4-methylpentane
• 2-Isobutyloxirane
• 4-Methyl-1,2-epoxypentane
• Isobutyloxirane

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-171.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.89	kJ/mol	Joback Calculated Property
ΔvapH°	41.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
logPoct/wat	1.431		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Inp	[721.00; 753.40]
Inp	751.20		NIST
Inp	751.80		NIST
Inp	753.40		NIST
Inp	753.40		NIST
Inp	721.00		NIST
Inp	721.00		NIST
Tboil	382.45	K	Relay (1.0) Calculated Property

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	[126.37; 328.67]	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			-3.71690e+01
Coefficient B			7.27640e-01
Coefficient C			-5.12100e-04
Coefficient D			1.50300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.37	J/mol×K	273.00	Calculated Property
Cp,gas	162.82	J/mol×K	353.78	Calculated Property
Cp,gas	194.66	J/mol×K	434.56	Calculated Property
Cp,gas	222.38	J/mol×K	515.33	Calculated Property
Cp,gas	246.45	J/mol×K	596.11	Calculated Property
Cp,gas	267.34	J/mol×K	676.89	Calculated Property
Cp,gas	285.54	J/mol×K	757.67	Calculated Property
Cp,gas	301.51	J/mol×K	838.44	Calculated Property
Cp,gas	315.73	J/mol×K	919.22	Calculated Property
Cp,gas	328.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020193; 0.0003569]	Pa×s	[186.89; 388.42]	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			-9.54522e+00
Coefficient B			6.24250e+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.			186.89
Temperature range, max.			388.42
η	0.0020193	Pa×s	186.89	Calculated Property
η	0.0014125	Pa×s	209.28	Calculated Property
η	0.0010587	Pa×s	231.67	Calculated Property
η	0.0008349	Pa×s	254.07	Calculated Property
η	0.0006842	Pa×s	276.46	Calculated Property
η	0.0005777	Pa×s	298.85	Calculated Property
η	0.0004995	Pa×s	321.24	Calculated Property
η	0.0004401	Pa×s	343.64	Calculated Property
η	0.0003938	Pa×s	366.03	Calculated Property
η	0.0003569	Pa×s	388.42	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, (2-methylpropyl)-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.