Chemical Properties of 1-Naphthaleneacetic acid, but-3-yn-2-yl ester

InChI

InChI=1S/C16H14O2/c1-3-12(2)18-16(17)11-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-10,12H,11H2,2H3

InChI Key

RSKPBRCHCWXUPN-UHFFFAOYSA-N

Formula

C16H14O2

SMILES

C#CC(C)OC(=O)Cc1cccc2ccccc12

Molecular Weight¹

238.28

• 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°	279.98	kJ/mol	Joback Calculated Property
ΔfH°gas	84.38	kJ/mol	Joback Calculated Property
ΔfusH°	30.11	kJ/mol	Joback Calculated Property
ΔvapH°	64.41	kJ/mol	Joback Calculated Property
log10WS	-4.52		Crippen Calculated Property
logPoct/wat	2.947		Crippen Calculated Property
McVol	191.920	ml/mol	McGowan Calculated Property
Pc	2522.65	kPa	Joback Calculated Property
Inp	[2380.00; 2380.00]
Inp	2380.00		NIST
Inp	2380.00		NIST
Tboil	682.09	K	Joback Calculated Property
Tc	919.12	K	Joback Calculated Property
Tfus	445.85	K	Joback Calculated Property
Vc	0.726	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.63; 564.30]	J/mol×K	[682.09; 919.12]
Cp,gas	490.63	J/mol×K	682.09	Joback Calculated Property
Cp,gas	505.38	J/mol×K	721.59	Joback Calculated Property
Cp,gas	519.04	J/mol×K	761.10	Joback Calculated Property
Cp,gas	531.69	J/mol×K	800.60	Joback Calculated Property
Cp,gas	543.39	J/mol×K	840.11	Joback Calculated Property
Cp,gas	554.23	J/mol×K	879.61	Joback Calculated Property
Cp,gas	564.30	J/mol×K	919.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, but-3-yn-2-yl ester.

Sources

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

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