Chemical Properties of p-Toluic acid, 2-adamantyl ester

InChI

InChI=1S/C18H22O2/c1-11-2-4-14(5-3-11)18(19)20-17-15-7-12-6-13(9-15)10-16(17)8-12/h2-5,12-13,15-17H,6-10H2,1H3

InChI Key

LIZCHCUUPZQFIY-UHFFFAOYSA-N

Formula

C18H22O2

SMILES

Cc1ccc(C(=O)OC2C3CC4CC(C3)CC2C4)cc1

Molecular Weight¹

270.37

Other Names

• p-toluylic acid, 2-adamantyl ester

• ω : Acentric Factor.
• 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).
• 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	0.6048		Relay (1.0) Calculated Property
ΔfG°	124.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-436.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.26	kJ/mol	Joback Calculated Property
ΔvapH°	94.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-5.49		Relay (1.0) Calculated Property
logPoct/wat	3.977		Crippen Calculated Property
McVol	215.580	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[2215.70; 2215.70]
Inp	2215.70		NIST
Inp	2215.70		NIST
Tboil	645.97	K	Relay (1.0) Calculated Property
Tc	912.27	K	Relay (1.0) Calculated Property
Tfus	459.69	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.94; 777.03]	J/mol×K	[734.34; 967.98]
Cp,gas	673.94	J/mol×K	734.34	Joback Calculated Property
Cp,gas	694.33	J/mol×K	773.28	Joback Calculated Property
Cp,gas	713.27	J/mol×K	812.22	Joback Calculated Property
Cp,gas	730.89	J/mol×K	851.16	Joback Calculated Property
Cp,gas	747.30	J/mol×K	890.10	Joback Calculated Property
Cp,gas	762.64	J/mol×K	929.04	Joback Calculated Property
Cp,gas	777.03	J/mol×K	967.98	Joback Calculated Property
η	[0.0023353; 0.0037160]	Pa×s	[445.54; 734.34]
η	0.0037160	Pa×s	445.54	Joback Calculated Property
η	0.0033118	Pa×s	493.67	Joback Calculated Property
η	0.0030126	Pa×s	541.81	Joback Calculated Property
η	0.0027831	Pa×s	589.94	Joback Calculated Property
η	0.0026020	Pa×s	638.07	Joback Calculated Property
η	0.0024557	Pa×s	686.21	Joback Calculated Property
η	0.0023353	Pa×s	734.34	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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