Chemical Properties of m-Anisic acid, 1-adamantylmethyl ester

InChI

InChI=1S/C19H24O3/c1-21-17-4-2-3-16(8-17)18(20)22-12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3

InChI Key

XEOJDIHEPZRJIJ-UHFFFAOYSA-N

Formula

C19H24O3

SMILES

COc1cccc(C(=O)OCC23CC4CC(CC(C4)C2)C3)c1

Molecular Weight¹

300.39

• 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°	29.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-380.31	kJ/mol	Joback Calculated Property
ΔfusH°	29.67	kJ/mol	Joback Calculated Property
ΔvapH°	70.84	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	4.068		Crippen Calculated Property
McVol	235.540	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[2451.90; 2451.90]
Inp	2451.90		NIST
Inp	2451.90		NIST
Tboil	784.55	K	Joback Calculated Property
Tc	1018.53	K	Joback Calculated Property
Tfus	507.18	K	Joback Calculated Property
Vc	0.893	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.09; 867.90]	J/mol×K	[784.55; 1018.53]
Cp,gas	753.09	J/mol×K	784.55	Joback Calculated Property
Cp,gas	773.42	J/mol×K	823.55	Joback Calculated Property
Cp,gas	792.97	J/mol×K	862.54	Joback Calculated Property
Cp,gas	811.97	J/mol×K	901.54	Joback Calculated Property
Cp,gas	830.64	J/mol×K	940.53	Joback Calculated Property
Cp,gas	849.21	J/mol×K	979.53	Joback Calculated Property
Cp,gas	867.90	J/mol×K	1018.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to m-Anisic acid, 1-adamantylmethyl ester.

Sources

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

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