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

InChI

InChI=1S/C19H24O3/c1-6-7-15(4)18(13-8-14(2)3)22-19(20)16-9-11-17(21-5)12-10-16/h9-12,15,18H,2,6-7H2,1,3-5H3

InChI Key

ZXNBGPUXUJMIHT-UHFFFAOYSA-N

Formula

C19H24O3

SMILES

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

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°	150.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.07	kJ/mol	Joback Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	73.18	kJ/mol	Joback Calculated Property
log10WS	-5.54		Crippen Calculated Property
logPoct/wat	4.236		Crippen Calculated Property
McVol	255.220	ml/mol	McGowan Calculated Property
Pc	1633.81	kPa	Joback Calculated Property
Inp	[2119.00; 2119.00]
Inp	2119.00		NIST
Inp	2119.00		NIST
Tboil	769.17	K	Joback Calculated Property
Tc	987.91	K	Joback Calculated Property
Tfus	497.60	K	Joback Calculated Property
Vc	0.966	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.20; 811.56]	J/mol×K	[769.17; 987.91]
Cp,gas	725.20	J/mol×K	769.17	Joback Calculated Property
Cp,gas	742.46	J/mol×K	805.63	Joback Calculated Property
Cp,gas	758.54	J/mol×K	842.08	Joback Calculated Property
Cp,gas	773.46	J/mol×K	878.54	Joback Calculated Property
Cp,gas	787.25	J/mol×K	914.99	Joback Calculated Property
Cp,gas	799.94	J/mol×K	951.45	Joback Calculated Property
Cp,gas	811.56	J/mol×K	987.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Anisic 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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