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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ω	0.5176		Relay (1.0) Calculated Property
ΔfusH°	31.69	kJ/mol	Joback Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	2.947		Crippen Calculated Property
McVol	191.920	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Inp	[2380.00; 2380.00]
Inp	2380.00		NIST
Inp	2380.00		NIST
Tboil	607.87	K	Relay (1.0) Calculated Property
Tc	862.87	K	Relay (1.0) Calculated Property
Tfus	332.13	K	Relay (1.0) Calculated Property
Vc	0.670	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.79; 561.20]	J/mol×K	[664.22; 899.53]
Cp,gas	486.79	J/mol×K	664.22	Joback Calculated Property
Cp,gas	501.87	J/mol×K	703.44	Joback Calculated Property
Cp,gas	515.78	J/mol×K	742.66	Joback Calculated Property
Cp,gas	528.59	J/mol×K	781.88	Joback Calculated Property
Cp,gas	540.37	J/mol×K	821.09	Joback Calculated Property
Cp,gas	551.22	J/mol×K	860.31	Joback Calculated Property
Cp,gas	561.20	J/mol×K	899.53	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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