Chemical Properties of 1-Naphthaleneacetic acid, isobutyl ester

InChI

InChI=1S/C16H18O2/c1-12(2)11-18-16(17)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3

InChI Key

AQLLHLGWSOYTKT-UHFFFAOYSA-N

Formula

C16H18O2

SMILES

CC(C)COC(=O)Cc1cccc2ccccc12

Molecular Weight¹

242.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6316		Relay (1.0) Calculated Property
ΔfusH°	28.71	kJ/mol	Joback Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	3.582		Crippen Calculated Property
McVol	200.520	ml/mol	McGowan Calculated Property
Pc	2104.20	kPa	Joback Calculated Property
Inp	[1931.00; 1931.00]
Inp	1931.00		NIST
Inp	1931.00		NIST
Tboil	621.81	K	Relay (1.0) Calculated Property
Tc	852.31	K	Relay (1.0) Calculated Property
Tfus	312.01	K	Relay (1.0) Calculated Property
Vc	0.735	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	[532.75; 613.83]	J/mol×K	[674.10; 894.68]
Cp,gas	532.75	J/mol×K	674.10	Joback Calculated Property
Cp,gas	548.92	J/mol×K	710.86	Joback Calculated Property
Cp,gas	563.94	J/mol×K	747.63	Joback Calculated Property
Cp,gas	577.88	J/mol×K	784.39	Joback Calculated Property
Cp,gas	590.81	J/mol×K	821.15	Joback Calculated Property
Cp,gas	602.77	J/mol×K	857.92	Joback Calculated Property
Cp,gas	613.83	J/mol×K	894.68	Joback Calculated Property
η	[0.0001764; 0.0018782]	Pa×s	[369.05; 674.10]
η	0.0018782	Pa×s	369.05	Joback Calculated Property
η	0.0009974	Pa×s	419.89	Joback Calculated Property
η	0.0006072	Pa×s	470.73	Joback Calculated Property
η	0.0004073	Pa×s	521.58	Joback Calculated Property
η	0.0002932	Pa×s	572.42	Joback Calculated Property
η	0.0002227	Pa×s	623.26	Joback Calculated Property
η	0.0001764	Pa×s	674.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, isobutyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.