Chemical Properties of Succinic acid, cyclohexylmethyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H28O5/c1-15(2)24-17-10-6-7-11-18(17)25-20(22)13-12-19(21)23-14-16-8-4-3-5-9-16/h6-7,10-11,15-16H,3-5,8-9,12-14H2,1-2H3

InChI Key

VVCBVOFOZWGGOY-UHFFFAOYSA-N

Formula

C20H28O5

SMILES

CC(C)Oc1ccccc1OC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

348.43

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.45	kJ/mol	Joback Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	4.283		Crippen Calculated Property
McVol	278.790	ml/mol	McGowan Calculated Property
Inp	[2553.00; 2553.00]
Inp	2553.00		NIST
Inp	2553.00		NIST
Tfus	321.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[384.70; 949.91]	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			-2.58670e+01
Coefficient B			1.72064e+00
Coefficient C			-8.12360e-04
Coefficient D			6.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.70	J/mol×K	273.00	Calculated Property
Cp,gas	484.17	J/mol×K	353.78	Calculated Property
Cp,gas	573.98	J/mol×K	434.56	Calculated Property
Cp,gas	654.34	J/mol×K	515.33	Calculated Property
Cp,gas	725.45	J/mol×K	596.11	Calculated Property
Cp,gas	787.54	J/mol×K	676.89	Calculated Property
Cp,gas	840.82	J/mol×K	757.67	Calculated Property
Cp,gas	885.50	J/mol×K	838.44	Calculated Property
Cp,gas	921.79	J/mol×K	919.22	Calculated Property
Cp,gas	949.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008315; 0.0000508]	Pa×s	[453.37; 744.80]	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			-1.42375e+01
Coefficient B			3.23942e+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.			453.37
Temperature range, max.			744.80
η	0.0008315	Pa×s	453.37	Calculated Property
η	0.0005164	Pa×s	485.75	Calculated Property
η	0.0003404	Pa×s	518.13	Calculated Property
η	0.0002357	Pa×s	550.51	Calculated Property
η	0.0001699	Pa×s	582.89	Calculated Property
η	0.0001268	Pa×s	615.27	Calculated Property
η	0.0000975	Pa×s	647.65	Calculated Property
η	0.0000768	Pa×s	680.03	Calculated Property
η	0.0000619	Pa×s	712.42	Calculated Property
η	0.0000508	Pa×s	744.80	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2-isopropoxyphenyl 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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