Chemical Properties of Succinic acid, 2-ethylhexyl 4-(4-methoxyphenyl)cyclohexyl ester

InChI

InChI=1S/C25H38O5/c1-4-6-7-19(5-2)18-29-24(26)16-17-25(27)30-23-14-10-21(11-15-23)20-8-12-22(28-3)13-9-20/h8-9,12-13,19,21,23H,4-7,10-11,14-18H2,1-3H3

InChI Key

NEJNFHXTOKTMJU-UHFFFAOYSA-N

Formula

C25H38O5

SMILES

CCCCC(CC)COC(=O)CCC(=O)OC1CCC(c2ccc(OC)cc2)CC1

Molecular Weight¹

418.57

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	53.47	kJ/mol	Joback Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	5.804		Crippen Calculated Property
McVol	349.240	ml/mol	McGowan Calculated Property
Pc	1021.38	kPa	Joback Calculated Property
Inp	[3160.00; 3160.00]
Inp	3160.00		NIST
Inp	3160.00		NIST
Tboil	711.58	K	Relay (1.0) Calculated Property
Tfus	301.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[493.03; 1214.53]	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			-2.44730e+01
Coefficient B			2.16916e+00
Coefficient C			-1.02896e-03
Coefficient D			9.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	493.03	J/mol×K	273.00	Calculated Property
Cp,gas	618.52	J/mol×K	353.78	Calculated Property
Cp,gas	731.95	J/mol×K	434.56	Calculated Property
Cp,gas	833.63	J/mol×K	515.33	Calculated Property
Cp,gas	923.88	J/mol×K	596.11	Calculated Property
Cp,gas	1003.00	J/mol×K	676.89	Calculated Property
Cp,gas	1071.32	J/mol×K	757.67	Calculated Property
Cp,gas	1129.13	J/mol×K	838.44	Calculated Property
Cp,gas	1176.77	J/mol×K	919.22	Calculated Property
Cp,gas	1214.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004665; 0.0000333]	Pa×s	[505.48; 822.57]	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			-1.45201e+01
Coefficient B			3.46253e+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.			505.48
Temperature range, max.			822.57
η	0.0004665	Pa×s	505.48	Calculated Property
η	0.0002986	Pa×s	540.71	Calculated Property
η	0.0002018	Pa×s	575.94	Calculated Property
η	0.0001427	Pa×s	611.18	Calculated Property
η	0.0001048	Pa×s	646.41	Calculated Property
η	0.0000794	Pa×s	681.64	Calculated Property
η	0.0000619	Pa×s	716.87	Calculated Property
η	0.0000494	Pa×s	752.10	Calculated Property
η	0.0000402	Pa×s	787.33	Calculated Property
η	0.0000333	Pa×s	822.57	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl 4-(4-methoxyphenyl)cyclohexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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