Chemical Properties of Succinic acid, cyclohexylmethyl 1-cyclopentylethyl ester

InChI

InChI=1S/C18H30O4/c1-14(16-9-5-6-10-16)22-18(20)12-11-17(19)21-13-15-7-3-2-4-8-15/h14-16H,2-13H2,1H3

InChI Key

LHWJATSHKCPYLT-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CC(OC(=O)CCC(=O)OCC1CCCCC1)C1CCCC1

Molecular Weight¹

310.43

• 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°	33.36	kJ/mol	Joback Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	257.640	ml/mol	McGowan Calculated Property
Inp	[2331.00; 2331.00]
Inp	2331.00		NIST
Inp	2331.00		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	[348.34; 933.09]	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			-9.04270e+01
Coefficient B			1.86392e+00
Coefficient C			-9.77800e-04
Coefficient D			1.37400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	348.34	J/mol×K	273.00	Calculated Property
Cp,gas	452.69	J/mol×K	353.78	Calculated Property
Cp,gas	546.18	J/mol×K	434.56	Calculated Property
Cp,gas	629.24	J/mol×K	515.33	Calculated Property
Cp,gas	702.32	J/mol×K	596.11	Calculated Property
Cp,gas	765.85	J/mol×K	676.89	Calculated Property
Cp,gas	820.25	J/mol×K	757.67	Calculated Property
Cp,gas	865.97	J/mol×K	838.44	Calculated Property
Cp,gas	903.44	J/mol×K	919.22	Calculated Property
Cp,gas	933.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033604; 0.0001218]	Pa×s	[380.56; 681.74]	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			-1.32050e+01
Coefficient B			2.85775e+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.			380.56
Temperature range, max.			681.74
η	0.0033604	Pa×s	380.56	Calculated Property
η	0.0018314	Pa×s	414.02	Calculated Property
η	0.0010930	Pa×s	447.49	Calculated Property
η	0.0007009	Pa×s	480.95	Calculated Property
η	0.0004762	Pa×s	514.42	Calculated Property
η	0.0003392	Pa×s	547.88	Calculated Property
η	0.0002512	Pa×s	581.34	Calculated Property
η	0.0001922	Pa×s	614.81	Calculated Property
η	0.0001512	Pa×s	648.27	Calculated Property
η	0.0001218	Pa×s	681.74	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 1-cyclopentylethyl 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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