Chemical Properties of Succinic acid, 2-(adamant-1-yl)ethyl cyclohexylmethyl ester

InChI

InChI=1S/C23H36O4/c24-21(6-7-22(25)27-16-17-4-2-1-3-5-17)26-9-8-23-13-18-10-19(14-23)12-20(11-18)15-23/h17-20H,1-16H2

InChI Key

NHANQUSNLYPBSN-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

O=C(CCC(=O)OCC1CCCCC1)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

376.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-143.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-746.19	kJ/mol	Joback Calculated Property
ΔfusH°	39.81	kJ/mol	Joback Calculated Property
ΔvapH°	83.98	kJ/mol	Joback Calculated Property
log10WS	-5.55		Crippen Calculated Property
logPoct/wat	5.040		Crippen Calculated Property
McVol	306.370	ml/mol	McGowan Calculated Property
Pc	1369.71	kPa	Joback Calculated Property
Inp	[3040.00; 3040.00]
Inp	3040.00		NIST
Inp	3040.00		NIST
Tboil	917.83	K	Joback Calculated Property
Tc	1142.31	K	Joback Calculated Property
Tfus	570.63	K	Joback Calculated Property
Vc	1.165	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1110.47; 1246.87]	J/mol×K	[917.83; 1142.31]
Cp,gas	1110.47	J/mol×K	917.83	Joback Calculated Property
Cp,gas	1133.78	J/mol×K	955.24	Joback Calculated Property
Cp,gas	1156.58	J/mol×K	992.66	Joback Calculated Property
Cp,gas	1179.08	J/mol×K	1030.07	Joback Calculated Property
Cp,gas	1201.48	J/mol×K	1067.48	Joback Calculated Property
Cp,gas	1224.01	J/mol×K	1104.89	Joback Calculated Property
Cp,gas	1246.87	J/mol×K	1142.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-(adamant-1-yl)ethyl cyclohexylmethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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