Chemical Properties of 1-Adamantanecarboxylic acid, 4-chlorophenyl ester

InChI

InChI=1S/C17H19ClO2/c18-14-1-3-15(4-2-14)20-16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2

InChI Key

BRFGISNTQUMEQO-UHFFFAOYSA-N

Formula

C17H19ClO2

SMILES

O=C(Oc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

290.79

• 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°	106.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.55	kJ/mol	Joback Calculated Property
ΔfusH°	27.50	kJ/mol	Joback Calculated Property
ΔvapH°	68.37	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	4.462		Crippen Calculated Property
McVol	213.730	ml/mol	McGowan Calculated Property
Pc	2271.90	kPa	Joback Calculated Property
Inp	[2230.00; 2230.00]
Inp	2230.00		NIST
Inp	2230.00		NIST
Tboil	753.80	K	Joback Calculated Property
Tc	1002.69	K	Joback Calculated Property
Tfus	492.33	K	Joback Calculated Property
Vc	0.812	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[639.38; 746.75]	J/mol×K	[753.80; 1002.69]
Cp,gas	639.38	J/mol×K	753.80	Joback Calculated Property
Cp,gas	658.36	J/mol×K	795.28	Joback Calculated Property
Cp,gas	676.52	J/mol×K	836.76	Joback Calculated Property
Cp,gas	694.14	J/mol×K	878.24	Joback Calculated Property
Cp,gas	711.53	J/mol×K	919.72	Joback Calculated Property
Cp,gas	728.97	J/mol×K	961.20	Joback Calculated Property
Cp,gas	746.75	J/mol×K	1002.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxylic acid, 4-chlorophenyl ester.

Sources

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

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