Chemical Properties of p-Anisic acid, 3-methylbut-2-enyl ester

InChI

InChI=1S/C13H16O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3

InChI Key

LITKNAAHVCEDPN-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

COc1ccc(C(=O)OCC=C(C)C)cc1

Molecular Weight¹

220.26

• 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°	-105.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-356.18	kJ/mol	Joback Calculated Property
ΔfusH°	25.95	kJ/mol	Joback Calculated Property
ΔvapH°	59.07	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	2.818		Crippen Calculated Property
McVol	179.280	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[1746.00; 1746.00]
Inp	1746.00		NIST
Inp	1746.00		NIST
Tboil	631.25	K	Joback Calculated Property
Tc	844.74	K	Joback Calculated Property
Tfus	350.56	K	Joback Calculated Property
Vc	0.678	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[448.06; 525.17]	J/mol×K	[631.25; 844.74]
Cp,gas	448.06	J/mol×K	631.25	Joback Calculated Property
Cp,gas	463.02	J/mol×K	666.83	Joback Calculated Property
Cp,gas	477.11	J/mol×K	702.41	Joback Calculated Property
Cp,gas	490.35	J/mol×K	738.00	Joback Calculated Property
Cp,gas	502.76	J/mol×K	773.58	Joback Calculated Property
Cp,gas	514.36	J/mol×K	809.16	Joback Calculated Property
Cp,gas	525.17	J/mol×K	844.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Anisic acid, 3-methylbut-2-enyl ester.

Sources

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

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