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

InChI

InChI=1S/C18H22O2/c1-4-17(13(2)3)20-18(19)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13,17H,4,12H2,1-3H3

InChI Key

MCKBYDBUXYJHRK-UHFFFAOYSA-N

Formula

C18H22O2

SMILES

CCC(OC(=O)Cc1cccc2ccccc12)C(C)C

Molecular Weight¹

270.37

• 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	0.6607		Relay (1.0) Calculated Property
ΔfusH°	30.37	kJ/mol	Joback Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	4.360		Crippen Calculated Property
McVol	228.700	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[2517.00; 2517.00]
Inp	2517.00		NIST
Inp	2517.00		NIST
Tboil	635.39	K	Relay (1.0) Calculated Property
Tc	866.78	K	Relay (1.0) Calculated Property
Tfus	307.55	K	Relay (1.0) Calculated Property
Vc	0.819	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	[640.67; 726.41]	J/mol×K	[719.42; 936.90]
Cp,gas	640.67	J/mol×K	719.42	Joback Calculated Property
Cp,gas	657.73	J/mol×K	755.67	Joback Calculated Property
Cp,gas	673.59	J/mol×K	791.91	Joback Calculated Property
Cp,gas	688.33	J/mol×K	828.16	Joback Calculated Property
Cp,gas	702.00	J/mol×K	864.40	Joback Calculated Property
Cp,gas	714.67	J/mol×K	900.65	Joback Calculated Property
Cp,gas	726.41	J/mol×K	936.90	Joback Calculated Property
η	[0.0001322; 0.0020212]	Pa×s	[376.59; 719.42]
η	0.0020212	Pa×s	376.59	Joback Calculated Property
η	0.0009510	Pa×s	433.73	Joback Calculated Property
η	0.0005333	Pa×s	490.87	Joback Calculated Property
η	0.0003374	Pa×s	548.00	Joback Calculated Property
η	0.0002327	Pa×s	605.14	Joback Calculated Property
η	0.0001712	Pa×s	662.28	Joback Calculated Property
η	0.0001322	Pa×s	719.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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