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

InChI

InChI=1S/C22H24O2/c1-5-9-17(4)21(15-14-16(2)3)24-22(23)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,17,21H,2,5,9H2,1,3-4H3

InChI Key

ZADXSOUCXHUWLU-UHFFFAOYSA-N

Formula

C22H24O2

SMILES

C=C(C)C#CC(OC(=O)c1cccc2ccccc12)C(C)CCC

Molecular Weight¹

320.42

• 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°	387.08	kJ/mol	Joback Calculated Property
ΔfH°gas	51.30	kJ/mol	Joback Calculated Property
ΔfusH°	39.68	kJ/mol	Joback Calculated Property
ΔvapH°	79.09	kJ/mol	Joback Calculated Property
log10WS	-7.22		Crippen Calculated Property
logPoct/wat	5.381		Crippen Calculated Property
McVol	272.160	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2360.00; 2360.00]
Inp	2360.00		NIST
Inp	2360.00		NIST
Tboil	834.37	K	Joback Calculated Property
Tc	1067.45	K	Joback Calculated Property
Tfus	541.88	K	Joback Calculated Property
Vc	1.038	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.59; 881.85]	J/mol×K	[834.37; 1067.45]
Cp,gas	796.59	J/mol×K	834.37	Joback Calculated Property
Cp,gas	813.42	J/mol×K	873.22	Joback Calculated Property
Cp,gas	829.07	J/mol×K	912.06	Joback Calculated Property
Cp,gas	843.65	J/mol×K	950.91	Joback Calculated Property
Cp,gas	857.24	J/mol×K	989.75	Joback Calculated Property
Cp,gas	869.94	J/mol×K	1028.60	Joback Calculated Property
Cp,gas	881.85	J/mol×K	1067.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic 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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