Chemical Properties of Succinic acid, (adamant-1-yl)methyl hept-2-yl ester

InChI

InChI=1S/C22H36O4/c1-3-4-5-6-16(2)26-21(24)8-7-20(23)25-15-22-12-17-9-18(13-22)11-19(10-17)14-22/h16-19H,3-15H2,1-2H3

InChI Key

ULGYLDSPRNGUAY-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)OCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

364.52

• 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°	-178.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-785.15	kJ/mol	Joback Calculated Property
ΔfusH°	41.86	kJ/mol	Joback Calculated Property
ΔvapH°	80.94	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen Calculated Property
logPoct/wat	5.038		Crippen Calculated Property
McVol	303.140	ml/mol	McGowan Calculated Property
Pc	1272.78	kPa	Joback Calculated Property
Inp	[2635.00; 2635.00]
Inp	2635.00		NIST
Inp	2635.00		NIST
Tboil	874.96	K	Joback Calculated Property
Tc	1083.22	K	Joback Calculated Property
Tfus	536.98	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1049.38; 1174.18]	J/mol×K	[874.96; 1083.22]
Cp,gas	1049.38	J/mol×K	874.96	Joback Calculated Property
Cp,gas	1070.87	J/mol×K	909.67	Joback Calculated Property
Cp,gas	1091.87	J/mol×K	944.38	Joback Calculated Property
Cp,gas	1112.53	J/mol×K	979.09	Joback Calculated Property
Cp,gas	1133.03	J/mol×K	1013.80	Joback Calculated Property
Cp,gas	1153.52	J/mol×K	1048.51	Joback Calculated Property
Cp,gas	1174.18	J/mol×K	1083.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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