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

InChI

InChI=1S/C27H42O5/c1-4-5-6-7-8-9-10-21(2)31-26(28)19-20-27(29)32-25-17-13-23(14-18-25)22-11-15-24(30-3)16-12-22/h11-12,15-16,21,23,25H,4-10,13-14,17-20H2,1-3H3

InChI Key

CJNDZFWCIJKSPC-UHFFFAOYSA-N

Formula

C27H42O5

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)OC1CCC(c2ccc(OC)cc2)CC1

Molecular Weight¹

446.62

• 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°	58.65	kJ/mol	Joback Calculated Property
logPoct/wat	6.727		Crippen Calculated Property
McVol	377.420	ml/mol	McGowan Calculated Property
Inp	[3326.00; 3326.00]
Inp	3326.00		NIST
Inp	3326.00		NIST
Tboil	714.53	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	[535.46; 1317.71]	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			-2.62910e+01
Coefficient B			2.35916e+00
Coefficient C			-1.13776e-03
Coefficient D			1.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	535.46	J/mol×K	273.00	Calculated Property
Cp,gas	671.36	J/mol×K	353.78	Calculated Property
Cp,gas	794.10	J/mol×K	434.56	Calculated Property
Cp,gas	904.09	J/mol×K	515.33	Calculated Property
Cp,gas	1001.70	J/mol×K	596.11	Calculated Property
Cp,gas	1087.32	J/mol×K	676.89	Calculated Property
Cp,gas	1161.35	J/mol×K	757.67	Calculated Property
Cp,gas	1224.16	J/mol×K	838.44	Calculated Property
Cp,gas	1276.15	J/mol×K	919.22	Calculated Property
Cp,gas	1317.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003565; 0.0000248]	Pa×s	[528.02; 859.22]	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			-1.48533e+01
Coefficient B			3.65085e+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.			528.02
Temperature range, max.			859.22
η	0.0003565	Pa×s	528.02	Calculated Property
η	0.0002272	Pa×s	564.82	Calculated Property
η	0.0001530	Pa×s	601.62	Calculated Property
η	0.0001079	Pa×s	638.42	Calculated Property
η	0.0000790	Pa×s	675.22	Calculated Property
η	0.0000597	Pa×s	712.02	Calculated Property
η	0.0000464	Pa×s	748.82	Calculated Property
η	0.0000369	Pa×s	785.62	Calculated Property
η	0.0000300	Pa×s	822.42	Calculated Property
η	0.0000248	Pa×s	859.22	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 4-(4-methoxyphenyl)cyclohexyl 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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