Chemical Properties of Oxirane, 2-ethyl-3-methyl-, cis- (CAS 3203-99-4)

InChI

InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1

InChI Key

BCJPEZMFAKOJPM-UHNVWZDZSA-N

Formula

C5H10O

SMILES

CCC1OC1C

Molecular Weight¹

86.13

CAS

3203-99-4

Other Names

• 2-Ethyl-3-methyl-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).
• 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°	15.89	kJ/mol	Joback Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
logPoct/wat	1.184		Crippen Calculated Property
McVol	76.320	ml/mol	McGowan Calculated Property
Inp	[658.00; 662.00]
Inp	658.00		NIST
Inp	659.00		NIST
Inp	660.00		NIST
Inp	658.40		NIST
Inp	659.40		NIST
Inp	660.40		NIST
Inp	662.00		NIST
Tboil	353.48	K	Relay (1.0) Calculated Property
Tfus	167.13	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	[107.73; 283.20]	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			-2.86390e+01
Coefficient B			6.00240e-01
Coefficient C			-3.99100e-04
Coefficient D			1.10700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.73	J/mol×K	273.00	Calculated Property
Cp,gas	138.66	J/mol×K	353.78	Calculated Property
Cp,gas	165.92	J/mol×K	434.56	Calculated Property
Cp,gas	189.85	J/mol×K	515.33	Calculated Property
Cp,gas	210.80	J/mol×K	596.11	Calculated Property
Cp,gas	229.13	J/mol×K	676.89	Calculated Property
Cp,gas	245.18	J/mol×K	757.67	Calculated Property
Cp,gas	259.31	J/mol×K	838.44	Calculated Property
Cp,gas	271.87	J/mol×K	919.22	Calculated Property
Cp,gas	283.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005411; 0.0002841]	Pa×s	[186.38; 366.11]	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			-8.83410e+00
Coefficient B			2.44580e+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.			186.38
Temperature range, max.			366.11
η	0.0005411	Pa×s	186.38	Calculated Property
η	0.0004766	Pa×s	206.35	Calculated Property
η	0.0004293	Pa×s	226.32	Calculated Property
η	0.0003933	Pa×s	246.29	Calculated Property
η	0.0003650	Pa×s	266.26	Calculated Property
η	0.0003424	Pa×s	286.23	Calculated Property
η	0.0003238	Pa×s	306.20	Calculated Property
η	0.0003084	Pa×s	326.17	Calculated Property
η	0.0002953	Pa×s	346.14	Calculated Property
η	0.0002841	Pa×s	366.11	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, 2-ethyl-3-methyl-, 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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