Chemical Properties of Succinic acid, cyclohexylmethyl 3-methoxyphenyl ester

InChI

InChI=1S/C18H24O5/c1-21-15-8-5-9-16(12-15)23-18(20)11-10-17(19)22-13-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11,13H2,1H3

InChI Key

LIPFZQXQRYYMCV-UHFFFAOYSA-N

Formula

C18H24O5

SMILES

COc1cccc(OC(=O)CCC(=O)OCC2CCCCC2)c1

Molecular Weight¹

320.38

• 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).
• IE : Ionization energy (eV).
• 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°	37.79	kJ/mol	Joback Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
logPoct/wat	3.504		Crippen Calculated Property
McVol	250.610	ml/mol	McGowan Calculated Property
Inp	[2546.00; 2546.00]
Inp	2546.00		NIST
Inp	2546.00		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, 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	[342.58; 846.19]	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			-2.23670e+01
Coefficient B			1.52472e+00
Coefficient C			-7.00360e-04
Coefficient D			4.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.58	J/mol×K	273.00	Calculated Property
Cp,gas	431.35	J/mol×K	353.78	Calculated Property
Cp,gas	511.58	J/mol×K	434.56	Calculated Property
Cp,gas	583.43	J/mol×K	515.33	Calculated Property
Cp,gas	647.03	J/mol×K	596.11	Calculated Property
Cp,gas	702.52	J/mol×K	676.89	Calculated Property
Cp,gas	750.04	J/mol×K	757.67	Calculated Property
Cp,gas	789.73	J/mol×K	838.44	Calculated Property
Cp,gas	821.74	J/mol×K	919.22	Calculated Property
Cp,gas	846.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008843; 0.0000700]	Pa×s	[445.83; 713.68]	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			-1.37895e+01
Coefficient B			3.01328e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			445.83
Temperature range, max.			713.68
η	0.0008843	Pa×s	445.83	Calculated Property
η	0.0005793	Pa×s	475.59	Calculated Property
η	0.0003989	Pa×s	505.35	Calculated Property
η	0.0002863	Pa×s	535.11	Calculated Property
η	0.0002128	Pa×s	564.87	Calculated Property
η	0.0001630	Pa×s	594.64	Calculated Property
η	0.0001280	Pa×s	624.40	Calculated Property
η	0.0001028	Pa×s	654.16	Calculated Property
η	0.0000841	Pa×s	683.92	Calculated Property
η	0.0000700	Pa×s	713.68	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3-methoxyphenyl 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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