Chemical Properties of 1-Naphthaleneacetic acid, 2-ethylhexyl ester

InChI

InChI=1S/C20H26O2/c1-3-5-9-16(4-2)15-22-20(21)14-18-12-8-11-17-10-6-7-13-19(17)18/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3

InChI Key

YAFXVCMBOIOXMV-UHFFFAOYSA-N

Formula

C20H26O2

SMILES

CCCCC(CC)COC(=O)Cc1cccc2ccccc12

Molecular Weight¹

298.42

• 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	0.7704		Relay (1.0) Calculated Property
ΔfusH°	39.07	kJ/mol	Joback Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.142		Crippen Calculated Property
McVol	256.880	ml/mol	McGowan Calculated Property
Pc	1521.12	kPa	Joback Calculated Property
Inp	[2719.00; 2719.00]
Inp	2719.00		NIST
Inp	2719.00		NIST
Tboil	663.06	K	Relay (1.0) Calculated Property
Tc	888.13	K	Relay (1.0) Calculated Property
Tfus	268.37	K	Relay (1.0) Calculated Property
Vc	0.924	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	[752.01; 839.06]	J/mol×K	[765.62; 974.33]
Cp,gas	752.01	J/mol×K	765.62	Joback Calculated Property
Cp,gas	769.16	J/mol×K	800.40	Joback Calculated Property
Cp,gas	785.16	J/mol×K	835.19	Joback Calculated Property
Cp,gas	800.10	J/mol×K	869.97	Joback Calculated Property
Cp,gas	814.01	J/mol×K	904.76	Joback Calculated Property
Cp,gas	826.98	J/mol×K	939.54	Joback Calculated Property
Cp,gas	839.06	J/mol×K	974.33	Joback Calculated Property
η	[0.0001138; 0.0014667]	Pa×s	[414.13; 765.62]
η	0.0014667	Pa×s	414.13	Joback Calculated Property
η	0.0007357	Pa×s	472.71	Joback Calculated Property
η	0.0004296	Pa×s	531.29	Joback Calculated Property
η	0.0002792	Pa×s	589.88	Joback Calculated Property
η	0.0001961	Pa×s	648.46	Joback Calculated Property
η	0.0001461	Pa×s	707.04	Joback Calculated Property
η	0.0001138	Pa×s	765.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthaleneacetic acid, 2-ethylhexyl ester.

Sources

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

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