Chemical Properties of p-Anisic acid, pent-2-en-4-ynyl ester

InChI

InChI=1S/C13H12O3/c1-3-4-5-10-16-13(14)11-6-8-12(15-2)9-7-11/h1,4-9H,10H2,2H3

InChI Key

FWBPOUCFYDTKMC-UHFFFAOYSA-N

Formula

C13H12O3

SMILES

C#CC=CCOC(=O)c1ccc(OC)cc1

Molecular Weight¹

216.23

• 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°	125.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-54.49	kJ/mol	Joback Calculated Property
ΔfusH°	30.23	kJ/mol	Joback Calculated Property
ΔvapH°	58.85	kJ/mol	Joback Calculated Property
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	2.041		Crippen Calculated Property
McVol	170.680	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[1761.00; 1761.00]
Inp	1761.00		NIST
Inp	1761.00		NIST
Tboil	621.49	K	Joback Calculated Property
Tc	845.55	K	Joback Calculated Property
Tfus	411.49	K	Joback Calculated Property
Vc	0.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[405.39; 474.12]	J/mol×K	[621.49; 845.55]
Cp,gas	405.39	J/mol×K	621.49	Joback Calculated Property
Cp,gas	418.89	J/mol×K	658.83	Joback Calculated Property
Cp,gas	431.53	J/mol×K	696.18	Joback Calculated Property
Cp,gas	443.34	J/mol×K	733.52	Joback Calculated Property
Cp,gas	454.36	J/mol×K	770.87	Joback Calculated Property
Cp,gas	464.61	J/mol×K	808.21	Joback Calculated Property
Cp,gas	474.12	J/mol×K	845.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Anisic acid, pent-2-en-4-ynyl ester.

Sources

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

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