Chemical Properties of Glutaric acid, 2-(adamant-1-yl)ethyl 3-methylbut-2-yl ester

InChI

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

InChI Key

XLJGXZBIWNTPQA-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)OCCC12CC3CC(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°	-181.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-790.43	kJ/mol	Joback Calculated Property
ΔfusH°	38.34	kJ/mol	Joback Calculated Property
ΔvapH°	80.55	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	303.140	ml/mol	McGowan Calculated Property
Pc	1280.08	kPa	Joback Calculated Property
Inp	[2626.00; 2626.00]
Inp	2626.00		NIST
Inp	2626.00		NIST
Tboil	874.52	K	Joback Calculated Property
Tc	1084.61	K	Joback Calculated Property
Tfus	521.98	K	Joback Calculated Property
Vc	1.163	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1049.82; 1175.35]	J/mol×K	[874.52; 1084.61]
Cp,gas	1049.82	J/mol×K	874.52	Joback Calculated Property
Cp,gas	1071.47	J/mol×K	909.53	Joback Calculated Property
Cp,gas	1092.60	J/mol×K	944.55	Joback Calculated Property
Cp,gas	1113.39	J/mol×K	979.56	Joback Calculated Property
Cp,gas	1133.99	J/mol×K	1014.58	Joback Calculated Property
Cp,gas	1154.59	J/mol×K	1049.59	Joback Calculated Property
Cp,gas	1175.35	J/mol×K	1084.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl 3-methylbut-2-yl ester.

Sources

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

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