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

InChI

InChI=1S/C23H29FO4/c24-19-4-1-2-5-20(19)28-22(26)7-3-6-21(25)27-9-8-23-13-16-10-17(14-23)12-18(11-16)15-23/h1-2,4-5,16-18H,3,6-15H2

InChI Key

TUMCXIZUMPVPFL-UHFFFAOYSA-N

Formula

C23H29FO4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

388.47

• 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°	-260.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-771.56	kJ/mol	Joback Calculated Property
ΔfusH°	44.71	kJ/mol	Joback Calculated Property
ΔvapH°	85.68	kJ/mol	Joback Calculated Property
log10WS	-5.98		Crippen Calculated Property
logPoct/wat	5.051		Crippen Calculated Property
McVol	295.240	ml/mol	McGowan Calculated Property
Pc	1439.16	kPa	Joback Calculated Property
Inp	[2984.00; 2984.00]
Inp	2984.00		NIST
Inp	2984.00		NIST
Tboil	929.21	K	Joback Calculated Property
Tc	1153.21	K	Joback Calculated Property
Tfus	602.78	K	Joback Calculated Property
Vc	1.141	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1022.62; 1147.28]	J/mol×K	[929.21; 1153.21]
Cp,gas	1022.62	J/mol×K	929.21	Joback Calculated Property
Cp,gas	1043.19	J/mol×K	966.54	Joback Calculated Property
Cp,gas	1063.56	J/mol×K	1003.88	Joback Calculated Property
Cp,gas	1083.94	J/mol×K	1041.21	Joback Calculated Property
Cp,gas	1104.55	J/mol×K	1078.54	Joback Calculated Property
Cp,gas	1125.59	J/mol×K	1115.88	Joback Calculated Property
Cp,gas	1147.28	J/mol×K	1153.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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