Chemical Properties of Succinic acid, cyclohexylmethyl hex-5-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/h2,15H,1,3-14H2

InChI Key

JZMGDRAMNCYXIB-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

C=CCCCCOC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

296.40

• 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°	39.08	kJ/mol	Joback Calculated Property
logPoct/wat	3.790		Crippen Calculated Property
McVol	250.110	ml/mol	McGowan Calculated Property
Inp	[2168.00; 2168.00]
Inp	2168.00		NIST
Inp	2168.00		NIST
Tboil	642.17	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	[350.86; 869.16]	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			-3.03430e+01
Coefficient B			1.61130e+00
Coefficient C			-8.15700e-04
Coefficient D			1.03900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.86	J/mol×K	273.00	Calculated Property
Cp,gas	442.21	J/mol×K	353.78	Calculated Property
Cp,gas	524.35	J/mol×K	434.56	Calculated Property
Cp,gas	597.61	J/mol×K	515.33	Calculated Property
Cp,gas	662.32	J/mol×K	596.11	Calculated Property
Cp,gas	718.81	J/mol×K	676.89	Calculated Property
Cp,gas	767.42	J/mol×K	757.67	Calculated Property
Cp,gas	808.45	J/mol×K	838.44	Calculated Property
Cp,gas	842.26	J/mol×K	919.22	Calculated Property
Cp,gas	869.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025897; 0.0001163]	Pa×s	[371.63; 640.10]	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			-1.33553e+01
Coefficient B			2.74971e+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.			371.63
Temperature range, max.			640.10
η	0.0025897	Pa×s	371.63	Calculated Property
η	0.0014944	Pa×s	401.46	Calculated Property
η	0.0009306	Pa×s	431.29	Calculated Property
η	0.0006161	Pa×s	461.12	Calculated Property
η	0.0004288	Pa×s	490.95	Calculated Property
η	0.0003111	Pa×s	520.78	Calculated Property
η	0.0002337	Pa×s	550.61	Calculated Property
η	0.0001808	Pa×s	580.44	Calculated Property
η	0.0001434	Pa×s	610.27	Calculated Property
η	0.0001163	Pa×s	640.10	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl hex-5-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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