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

InChI

InChI=1S/C19H28Cl2O4/c20-16(21)12-25-18(23)3-1-2-17(22)24-5-4-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2

InChI Key

FYIOEDIEEKKGJP-UHFFFAOYSA-N

Formula

C19H28Cl2O4

SMILES

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

Molecular Weight¹

391.33

• 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	0.8134		Relay (... Calculated Property
ΔfG°	-228.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1029.95	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.49	kJ/mol	Joback Calculated Property
ΔvapH°	111.18	kJ/mol	Relay (... Calculated Property
IE	9.48	eV	Relay (... Calculated Property
log10WS	-5.71		Relay (... Calculated Property
logPoct/wat	4.653		Crippen Calculated Property
McVol	285.350	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
Inp	[2805.00; 2805.00]
Inp	2805.00		NIST
Inp	2805.00		NIST
Tboil	676.76	K	Relay (... Calculated Property
Tc	922.06	K	Relay (... Calculated Property
Tfus	432.88	K	Relay (... Calculated Property
Vc	1.033	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[925.53; 1038.00]	J/mol×K	[881.18; 1098.60]
Cp,gas	925.53	J/mol×K	881.18	Joback Calculated Property
Cp,gas	944.43	J/mol×K	917.42	Joback Calculated Property
Cp,gas	963.03	J/mol×K	953.65	Joback Calculated Property
Cp,gas	981.50	J/mol×K	989.89	Joback Calculated Property
Cp,gas	1000.03	J/mol×K	1026.13	Joback Calculated Property
Cp,gas	1018.80	J/mol×K	1062.36	Joback Calculated Property
Cp,gas	1038.00	J/mol×K	1098.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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