Chemical Properties of 1-Adamantanecarboxylic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C17H18Cl2O2/c18-14-2-1-13(6-15(14)19)21-16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2

InChI Key

BQWIKWHHKZSZRP-UHFFFAOYSA-N

Formula

C17H18Cl2O2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

325.23

• 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°	84.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.76	kJ/mol	Joback Calculated Property
ΔfusH°	31.31	kJ/mol	Joback Calculated Property
ΔvapH°	73.41	kJ/mol	Joback Calculated Property
log10WS	-5.64		Crippen Calculated Property
logPoct/wat	5.115		Crippen Calculated Property
McVol	225.970	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[2444.00; 2444.00]
Inp	2444.00		NIST
Inp	2444.00		NIST
Tboil	796.21	K	Joback Calculated Property
Tc	1047.68	K	Joback Calculated Property
Tfus	534.77	K	Joback Calculated Property
Vc	0.862	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.54; 771.63]	J/mol×K	[796.21; 1047.68]
Cp,gas	665.54	J/mol×K	796.21	Joback Calculated Property
Cp,gas	683.52	J/mol×K	838.12	Joback Calculated Property
Cp,gas	700.99	J/mol×K	880.03	Joback Calculated Property
Cp,gas	718.25	J/mol×K	921.95	Joback Calculated Property
Cp,gas	735.58	J/mol×K	963.86	Joback Calculated Property
Cp,gas	753.28	J/mol×K	1005.77	Joback Calculated Property
Cp,gas	771.63	J/mol×K	1047.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxylic acid, 3,4-dichlorophenyl 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.