Chemical Properties of Succinic acid, cyclohexylmethyl cis-hex-3-en-1-yl ester

InChI

InChI=1S/C17H28O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h3-4,15H,2,5-14H2,1H3/b4-3-

InChI Key

YXLUKNUIEXPZFB-ARJAWSKDSA-N

Formula

C17H28O4

SMILES

CC/C=C\CCOC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

296.41

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.56	kJ/mol	Joback Calculated Property
logPoct/wat	3.790		Crippen Calculated Property
McVol	250.110	ml/mol	McGowan Calculated Property
Inp	[2183.00; 2183.00]
Inp	2183.00		NIST
Inp	2183.00		NIST
Tboil	618.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[346.67; 867.09]	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			-4.15340e+01
Coefficient B			1.65132e+00
Coefficient C			-8.76600e-04
Coefficient D			1.33900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.67	J/mol×K	273.00	Calculated Property
Cp,gas	438.88	J/mol×K	353.78	Calculated Property
Cp,gas	521.51	J/mol×K	434.56	Calculated Property
Cp,gas	594.97	J/mol×K	515.33	Calculated Property
Cp,gas	659.70	J/mol×K	596.11	Calculated Property
Cp,gas	716.11	J/mol×K	676.89	Calculated Property
Cp,gas	764.64	J/mol×K	757.67	Calculated Property
Cp,gas	805.69	J/mol×K	838.44	Calculated Property
Cp,gas	839.70	J/mol×K	919.22	Calculated Property
Cp,gas	867.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024785; 0.0000943]	Pa×s	[368.31; 647.63]	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			-1.35783e+01
Coefficient B			2.79111e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			368.31
Temperature range, max.			647.63
η	0.0024785	Pa×s	368.31	Calculated Property
η	0.0013753	Pa×s	399.35	Calculated Property
η	0.0008308	Pa×s	430.38	Calculated Property
η	0.0005371	Pa×s	461.42	Calculated Property
η	0.0003669	Pa×s	492.45	Calculated Property
η	0.0002622	Pa×s	523.49	Calculated Property
η	0.0001945	Pa×s	554.52	Calculated Property
η	0.0001490	Pa×s	585.56	Calculated Property
η	0.0001172	Pa×s	616.60	Calculated Property
η	0.0000943	Pa×s	647.63	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl cis-hex-3-en-1-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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