Chemical Properties of 2-Chlorobenzoic acid, 2-adamantyl ester

InChI

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

InChI Key

HYDIOIONCLEIID-UHFFFAOYSA-N

Formula

C17H19ClO2

SMILES

O=C(OC1C2CC3CC(C2)CC1C3)c1ccccc1Cl

Molecular Weight¹

290.79

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	103.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.13	kJ/mol	Joback Calculated Property
ΔfusH°	34.87	kJ/mol	Joback Calculated Property
ΔvapH°	69.21	kJ/mol	Joback Calculated Property
log10WS	-5.00		Crippen Calculated Property
logPoct/wat	4.321		Crippen Calculated Property
McVol	213.730	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[2214.10; 2214.10]
Inp	2214.10		NIST
Inp	2214.10		NIST
Tboil	748.89	K	Joback Calculated Property
Tc	989.44	K	Joback Calculated Property
Tfus	464.19	K	Joback Calculated Property
Vc	0.814	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.32; 741.58]	J/mol×K	[748.89; 989.44]
Cp,gas	647.32	J/mol×K	748.89	Joback Calculated Property
Cp,gas	666.07	J/mol×K	788.98	Joback Calculated Property
Cp,gas	683.43	J/mol×K	829.07	Joback Calculated Property
Cp,gas	699.52	J/mol×K	869.17	Joback Calculated Property
Cp,gas	714.49	J/mol×K	909.26	Joback Calculated Property
Cp,gas	728.47	J/mol×K	949.35	Joback Calculated Property
Cp,gas	741.58	J/mol×K	989.44	Joback Calculated Property
η	[0.0024969; 0.0040928]	Pa×s	[464.19; 748.89]
η	0.0040928	Pa×s	464.19	Joback Calculated Property
η	0.0036280	Pa×s	511.64	Joback Calculated Property
η	0.0032825	Pa×s	559.09	Joback Calculated Property
η	0.0030167	Pa×s	606.54	Joback Calculated Property
η	0.0028066	Pa×s	653.99	Joback Calculated Property
η	0.0026368	Pa×s	701.44	Joback Calculated Property
η	0.0024969	Pa×s	748.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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