Chemical Properties of Cyclohexanecarboxylic acid, 4-methoxy-, oct-3-en-2-yl ester

InChI

InChI=1S/C16H28O3/c1-4-5-6-7-8-13(2)19-16(17)14-9-11-15(18-3)12-10-14/h7-8,13-15H,4-6,9-12H2,1-3H3/b8-7+

InChI Key

HFKFWRJBXAKLLU-BQYQJAHWSA-N

Formula

C16H28O3

SMILES

CCCCC=CC(C)OC(=O)C1CCC(OC)CC1

Molecular Weight¹

268.39

• 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°	32.34	kJ/mol	Joback Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	234.450	ml/mol	McGowan Calculated Property
Inp	[1837.00; 1837.00]
Inp	1837.00		NIST
Inp	1837.00		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	[326.47; 833.08]	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			-3.62770e+01
Coefficient B			1.52736e+00
Coefficient C			-7.53600e-04
Coefficient D			9.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.47	J/mol×K	273.00	Calculated Property
Cp,gas	413.98	J/mol×K	353.78	Calculated Property
Cp,gas	492.98	J/mol×K	434.56	Calculated Property
Cp,gas	563.77	J/mol×K	515.33	Calculated Property
Cp,gas	626.66	J/mol×K	596.11	Calculated Property
Cp,gas	681.94	J/mol×K	676.89	Calculated Property
Cp,gas	729.92	J/mol×K	757.67	Calculated Property
Cp,gas	770.91	J/mol×K	838.44	Calculated Property
Cp,gas	805.19	J/mol×K	919.22	Calculated Property
Cp,gas	833.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032911; 0.0001207]	Pa×s	[317.70; 603.01]	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			-1.27025e+01
Coefficient B			2.21945e+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.			317.70
Temperature range, max.			603.01
η	0.0032911	Pa×s	317.70	Calculated Property
η	0.0017461	Pa×s	349.40	Calculated Property
η	0.0010294	Pa×s	381.10	Calculated Property
η	0.0006582	Pa×s	412.80	Calculated Property
η	0.0004486	Pa×s	444.51	Calculated Property
η	0.0003217	Pa×s	476.21	Calculated Property
η	0.0002405	Pa×s	507.91	Calculated Property
η	0.0001861	Pa×s	539.61	Calculated Property
η	0.0001481	Pa×s	571.31	Calculated Property
η	0.0001207	Pa×s	603.01	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.