Chemical Properties of 2-Chlorobenzoic acid, 1-adamantylmethyl ester

InChI

InChI=1S/C18H21ClO2/c19-16-4-2-1-3-15(16)17(20)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2

InChI Key

KYXXVMRHEPJPPY-UHFFFAOYSA-N

Formula

C18H21ClO2

SMILES

O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl

Molecular Weight¹

304.81

• 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°	114.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.19	kJ/mol	Joback Calculated Property
ΔfusH°	30.09	kJ/mol	Joback Calculated Property
ΔvapH°	70.59	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.713		Crippen Calculated Property
McVol	227.820	ml/mol	McGowan Calculated Property
Pc	2077.43	kPa	Joback Calculated Property
Inp	[2325.00; 2325.00]
Inp	2325.00		NIST
Inp	2325.00		NIST
Tboil	776.68	K	Joback Calculated Property
Tc	1020.52	K	Joback Calculated Property
Tfus	503.60	K	Joback Calculated Property
Vc	0.869	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.60; 806.60]	J/mol×K	[776.68; 1020.52]
Cp,gas	695.60	J/mol×K	776.68	Joback Calculated Property
Cp,gas	714.98	J/mol×K	817.32	Joback Calculated Property
Cp,gas	733.64	J/mol×K	857.96	Joback Calculated Property
Cp,gas	751.86	J/mol×K	898.60	Joback Calculated Property
Cp,gas	769.90	J/mol×K	939.24	Joback Calculated Property
Cp,gas	788.06	J/mol×K	979.88	Joback Calculated Property
Cp,gas	806.60	J/mol×K	1020.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, 1-adamantylmethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.