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

InChI

InChI=1S/C15H24O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h2,13H,1,3-12H2

InChI Key

SCZIAVXEJINFCR-UHFFFAOYSA-N

Formula

C15H24O4

SMILES

C=CCCOC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

268.35

• 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°	33.90	kJ/mol	Joback Calculated Property
logPoct/wat	3.009		Crippen Calculated Property
McVol	221.930	ml/mol	McGowan Calculated Property
Inp	[1926.00; 1926.00]
Inp	1926.00		NIST
Inp	1926.00		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	[308.44; 765.98]	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			-2.85250e+01
Coefficient B			1.42130e+00
Coefficient C			-7.06900e-04
Coefficient D			8.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.44	J/mol×K	273.00	Calculated Property
Cp,gas	389.37	J/mol×K	353.78	Calculated Property
Cp,gas	462.19	J/mol×K	434.56	Calculated Property
Cp,gas	527.15	J/mol×K	515.33	Calculated Property
Cp,gas	584.50	J/mol×K	596.11	Calculated Property
Cp,gas	634.49	J/mol×K	676.89	Calculated Property
Cp,gas	677.38	J/mol×K	757.67	Calculated Property
Cp,gas	713.43	J/mol×K	838.44	Calculated Property
Cp,gas	742.87	J/mol×K	919.22	Calculated Property
Cp,gas	765.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032818; 0.0001419]	Pa×s	[349.09; 610.40]	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			-1.30567e+01
Coefficient B			2.56139e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			349.09
Temperature range, max.			610.40
η	0.0032818	Pa×s	349.09	Calculated Property
η	0.0018682	Pa×s	378.12	Calculated Property
η	0.0011525	Pa×s	407.16	Calculated Property
η	0.0007582	Pa×s	436.19	Calculated Property
η	0.0005256	Pa×s	465.23	Calculated Property
η	0.0003803	Pa×s	494.26	Calculated Property
η	0.0002853	Pa×s	523.30	Calculated Property
η	0.0002206	Pa×s	552.33	Calculated Property
η	0.0001750	Pa×s	581.37	Calculated Property
η	0.0001419	Pa×s	610.40	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl but-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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