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

InChI

InChI=1S/C23H29ClO4/c24-19-3-1-4-20(12-19)28-22(26)6-2-5-21(25)27-8-7-23-13-16-9-17(14-23)11-18(10-16)15-23/h1,3-4,12,16-18H,2,5-11,13-15H2

InChI Key

MOATWNDIJLWAOI-UHFFFAOYSA-N

Formula

C23H29ClO4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

404.93

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8812		Relay (... Calculated Property
ΔfG°	-77.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-869.12	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.83	kJ/mol	Joback Calculated Property
ΔvapH°	123.35	kJ/mol	Relay (... Calculated Property
IE	8.54	eV	Relay (... Calculated Property
log10WS	-6.53		Relay (... Calculated Property
logPoct/wat	5.565		Crippen Calculated Property
McVol	305.710	ml/mol	McGowan Calculated Property
Pc	1447.94	kPa	Joback Calculated Property
Inp	[3196.00; 3196.00]
Inp	3196.00		NIST
Inp	3196.00		NIST
Tboil	717.27	K	Relay (... Calculated Property
Tc	988.15	K	Relay (... Calculated Property
Tfus	430.84	K	Relay (... Calculated Property
Vc	1.118	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1044.94; 1177.09]	J/mol×K	[967.37; 1200.76]
Cp,gas	1044.94	J/mol×K	967.37	Joback Calculated Property
Cp,gas	1066.04	J/mol×K	1006.27	Joback Calculated Property
Cp,gas	1087.19	J/mol×K	1045.17	Joback Calculated Property
Cp,gas	1108.64	J/mol×K	1084.06	Joback Calculated Property
Cp,gas	1130.60	J/mol×K	1122.96	Joback Calculated Property
Cp,gas	1153.34	J/mol×K	1161.86	Joback Calculated Property
Cp,gas	1177.09	J/mol×K	1200.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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