Chemical Properties of Oxirane, 2-methyl-3-propyl-, cis- (CAS 6124-90-9)

InChI

InChI=1S/C6H12O/c1-3-4-6-5(2)7-6/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1

InChI Key

LIESJAYIOKBLIL-NTSWFWBYSA-N

Formula

C6H12O

SMILES

CCCC1OC1C

Molecular Weight¹

100.16

CAS

6124-90-9

Other Names

• Hexane, 2,3-epoxy-, cis-
• 2,3-Epoxyhexane, cis
• 2-Methyl-3-propyl-oxirane, (Z)-

• 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_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.48	kJ/mol	Joback Calculated Property
logPoct/wat	1.574		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Inp	[744.00; 766.90]
Inp	762.20		NIST
Inp	766.40		NIST
Inp	766.90		NIST
Inp	766.90		NIST
Inp	744.00		NIST
Inp	744.00		NIST
Inp	762.20		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	[128.95; 334.79]	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			-2.95480e+01
Coefficient B			6.95240e-01
Coefficient C			-4.53500e-04
Coefficient D			1.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.95	J/mol×K	273.00	Calculated Property
Cp,gas	165.08	J/mol×K	353.78	Calculated Property
Cp,gas	196.99	J/mol×K	434.56	Calculated Property
Cp,gas	225.08	J/mol×K	515.33	Calculated Property
Cp,gas	249.71	J/mol×K	596.11	Calculated Property
Cp,gas	271.29	J/mol×K	676.89	Calculated Property
Cp,gas	290.20	J/mol×K	757.67	Calculated Property
Cp,gas	306.83	J/mol×K	838.44	Calculated Property
Cp,gas	321.56	J/mol×K	919.22	Calculated Property
Cp,gas	334.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007706; 0.0003371]	Pa×s	[197.65; 381.91]	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			-8.88222e+00
Coefficient B			3.38740e+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.			197.65
Temperature range, max.			381.91
η	0.0007706	Pa×s	197.65	Calculated Property
η	0.0006561	Pa×s	218.12	Calculated Property
η	0.0005742	Pa×s	238.60	Calculated Property
η	0.0005133	Pa×s	259.07	Calculated Property
η	0.0004664	Pa×s	279.54	Calculated Property
η	0.0004294	Pa×s	300.02	Calculated Property
η	0.0003995	Pa×s	320.49	Calculated Property
η	0.0003749	Pa×s	340.96	Calculated Property
η	0.0003544	Pa×s	361.44	Calculated Property
η	0.0003371	Pa×s	381.91	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, 2-methyl-3-propyl-, cis-.

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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