Chemical Properties of Cyclopropanecarboxylic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C12H20O2/c1-3-4-5-6-7-10(2)14-12(13)11-8-9-11/h6-7,10-11H,3-5,8-9H2,1-2H3/b7-6+

InChI Key

WTBNOXVDMAKPIY-VOTSOKGWSA-N

Formula

C12H20O2

SMILES

CCCC/C=C/C(C)OC(=O)C1CC1

Molecular Weight¹

196.29

• 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°	26.02	kJ/mol	Joback Calculated Property
logPoct/wat	3.075		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Inp	[1346.00; 1346.00]
Inp	1346.00		NIST
Inp	1346.00		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	[238.62; 596.22]	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			-4.87170e+01
Coefficient B			1.26584e+00
Coefficient C			-8.41600e-04
Coefficient D			2.20700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.62	J/mol×K	273.00	Calculated Property
Cp,gas	303.55	J/mol×K	353.78	Calculated Property
Cp,gas	360.55	J/mol×K	434.56	Calculated Property
Cp,gas	410.31	J/mol×K	515.33	Calculated Property
Cp,gas	453.55	J/mol×K	596.11	Calculated Property
Cp,gas	490.96	J/mol×K	676.89	Calculated Property
Cp,gas	523.23	J/mol×K	757.67	Calculated Property
Cp,gas	551.07	J/mol×K	838.44	Calculated Property
Cp,gas	575.17	J/mol×K	919.22	Calculated Property
Cp,gas	596.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038621; 0.0003441]	Pa×s	[265.19; 512.72]	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			-1.05654e+01
Coefficient B			1.32830e+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.			265.19
Temperature range, max.			512.72
η	0.0038621	Pa×s	265.19	Calculated Property
η	0.0024122	Pa×s	292.69	Calculated Property
η	0.0016335	Pa×s	320.20	Calculated Property
η	0.0011766	Pa×s	347.70	Calculated Property
η	0.0008892	Pa×s	375.20	Calculated Property
η	0.0006982	Pa×s	402.70	Calculated Property
η	0.0005655	Pa×s	430.21	Calculated Property
η	0.0004697	Pa×s	457.71	Calculated Property
η	0.0003985	Pa×s	485.21	Calculated Property
η	0.0003441	Pa×s	512.72	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, oct-3-en-2-yl ester.

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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