Chemical Properties of p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C19H24O2/c1-6-7-16(5)18(13-8-14(2)3)21-19(20)17-11-9-15(4)10-12-17/h9-12,16,18H,2,6-7H2,1,3-5H3

InChI Key

AANNJIDQKSINNQ-UHFFFAOYSA-N

Formula

C19H24O2

SMILES

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

Molecular Weight¹

284.39

Other Names

• p-toluylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

• 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°	255.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.85	kJ/mol	Joback Calculated Property
ΔfusH°	34.89	kJ/mol	Joback Calculated Property
ΔvapH°	70.77	kJ/mol	Joback Calculated Property
log10WS	-5.89		Crippen Calculated Property
logPoct/wat	4.536		Crippen Calculated Property
McVol	249.350	ml/mol	McGowan Calculated Property
Pc	1656.49	kPa	Joback Calculated Property
Inp	[1992.60; 1992.60]
Inp	1992.60		NIST
Inp	1992.60		NIST
Tboil	746.75	K	Joback Calculated Property
Tc	967.62	K	Joback Calculated Property
Tfus	475.37	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[696.60; 786.60]	J/mol×K	[746.75; 967.62]
Cp,gas	696.60	J/mol×K	746.75	Joback Calculated Property
Cp,gas	714.39	J/mol×K	783.56	Joback Calculated Property
Cp,gas	731.01	J/mol×K	820.37	Joback Calculated Property
Cp,gas	746.49	J/mol×K	857.19	Joback Calculated Property
Cp,gas	760.89	J/mol×K	894.00	Joback Calculated Property
Cp,gas	774.24	J/mol×K	930.81	Joback Calculated Property
Cp,gas	786.60	J/mol×K	967.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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

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