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

• 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	0.5677		Relay (1.0) Calculated Property
ΔfG°	106.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-416.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.50	kJ/mol	Joback Calculated Property
ΔvapH°	91.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-5.97		Relay (1.0) 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	647.41	K	Relay (1.0) Calculated Property
Tc	925.35	K	Relay (1.0) Calculated Property
Tfus	483.84	K	Relay (1.0) Calculated Property
Vc	0.779	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.