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

InChI

InChI=1S/C22H36O4/c1-3-5-6-15(4-2)14-25-20(23)7-8-21(24)26-22-18-10-16-9-17(12-18)13-19(22)11-16/h15-19,22H,3-14H2,1-2H3

InChI Key

MVSDJCDMDZYYGI-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

CCCCC(CC)COC(=O)CCC(=O)OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

364.53

• 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°	52.40	kJ/mol	Joback Calculated Property
log10WS	-5.81		Relay (1.0) Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	303.140	ml/mol	McGowan Calculated Property
Pc	1139.03	kPa	Joback Calculated Property
Inp	[2688.00; 2688.00]
Inp	2688.00		NIST
Inp	2688.00		NIST
Tboil	666.00	K	Relay (1.0) Calculated Property
Tfus	382.08	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	[433.85; 1125.40]	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			-1.11943e+02
Coefficient B			2.38024e+00
Coefficient C			-1.49040e-03
Coefficient D			3.47500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.85	J/mol×K	273.00	Calculated Property
Cp,gas	558.98	J/mol×K	353.78	Calculated Property
Cp,gas	669.47	J/mol×K	434.56	Calculated Property
Cp,gas	766.43	J/mol×K	515.33	Calculated Property
Cp,gas	850.94	J/mol×K	596.11	Calculated Property
Cp,gas	924.12	J/mol×K	676.89	Calculated Property
Cp,gas	987.05	J/mol×K	757.67	Calculated Property
Cp,gas	1040.84	J/mol×K	838.44	Calculated Property
Cp,gas	1086.59	J/mol×K	919.22	Calculated Property
Cp,gas	1125.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038292; 0.0012053]	Pa×s	[449.18; 723.40]	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			-8.61440e+00
Coefficient B			1.36969e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			449.18
Temperature range, max.			723.40
η	0.0038292	Pa×s	449.18	Calculated Property
η	0.0031549	Pa×s	479.65	Calculated Property
η	0.0026602	Pa×s	510.12	Calculated Property
η	0.0022866	Pa×s	540.59	Calculated Property
η	0.0019974	Pa×s	571.06	Calculated Property
η	0.0017689	Pa×s	601.53	Calculated Property
η	0.0015850	Pa×s	632.00	Calculated Property
η	0.0014346	Pa×s	662.47	Calculated Property
η	0.0013100	Pa×s	692.94	Calculated Property
η	0.0012053	Pa×s	723.40	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl adamant-2-yl ester.

Sources

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

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