Chemical Properties of Succinic acid, cyclohexylmethyl adamant-2-yl ester

InChI

InChI=1S/C21H32O4/c22-19(24-13-14-4-2-1-3-5-14)6-7-20(23)25-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-18,21H,1-13H2

InChI Key

FXYYPDGIDRCHAR-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

O=C(CCC(=O)OC1C2CC3CC(C2)CC1C3)OCC1CCCCC1

Molecular Weight¹

348.48

• 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°	45.17	kJ/mol	Joback Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	278.190	ml/mol	McGowan Calculated Property
Inp	[2806.00; 2806.00]
Inp	2806.00		NIST
Inp	2806.00		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	[374.84; 1058.34]	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			-1.74957e+02
Coefficient B			2.40140e+00
Coefficient C			-1.51380e-03
Coefficient D			3.45700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.84	J/mol×K	273.00	Calculated Property
Cp,gas	500.45	J/mol×K	353.78	Calculated Property
Cp,gas	611.09	J/mol×K	434.56	Calculated Property
Cp,gas	707.86	J/mol×K	515.33	Calculated Property
Cp,gas	791.85	J/mol×K	596.11	Calculated Property
Cp,gas	864.15	J/mol×K	676.89	Calculated Property
Cp,gas	925.85	J/mol×K	757.67	Calculated Property
Cp,gas	978.06	J/mol×K	838.44	Calculated Property
Cp,gas	1021.86	J/mol×K	919.22	Calculated Property
Cp,gas	1058.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045508; 0.0015084]	Pa×s	[460.29; 734.34]	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			-8.35141e+00
Coefficient B			1.36198e+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.			460.29
Temperature range, max.			734.34
η	0.0045508	Pa×s	460.29	Calculated Property
η	0.0037875	Pa×s	490.74	Calculated Property
η	0.0032206	Pa×s	521.19	Calculated Property
η	0.0027879	Pa×s	551.64	Calculated Property
η	0.0024501	Pa×s	582.09	Calculated Property
η	0.0021811	Pa×s	612.54	Calculated Property
η	0.0019631	Pa×s	642.99	Calculated Property
η	0.0017838	Pa×s	673.44	Calculated Property
η	0.0016344	Pa×s	703.89	Calculated Property
η	0.0015084	Pa×s	734.34	Calculated Property

Similar Compounds

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