Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, naphth-2-ylmethyl ester

InChI

InChI=1S/C20H26O2/c1-15(13-20(2,3)4)11-19(21)22-14-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12,15H,11,13-14H2,1-4H3

InChI Key

DBBYBEREQVMNDW-UHFFFAOYSA-N

Formula

C20H26O2

SMILES

CC(CC(=O)OCc1ccc2ccccc2c1)CC(C)(C)C

Molecular Weight¹

298.42

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.7027		Relay (1.0) Calculated Property
ΔfG°	93.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-392.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.08	kJ/mol	Joback Calculated Property
ΔvapH°	92.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-5.96		Relay (1.0) Calculated Property
logPoct/wat	5.345		Crippen Calculated Property
McVol	256.880	ml/mol	McGowan Calculated Property
Pc	1594.89	kPa	Joback Calculated Property
Inp	[2292.00; 2292.00]
Inp	2292.00		NIST
Inp	2292.00		NIST
Tboil	639.51	K	Relay (1.0) Calculated Property
Tc	877.74	K	Relay (1.0) Calculated Property
Tfus	353.51	K	Relay (1.0) Calculated Property
Vc	0.920	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.86; 848.33]	J/mol×K	[780.26; 1000.01]
Cp,gas	759.86	J/mol×K	780.26	Joback Calculated Property
Cp,gas	777.22	J/mol×K	816.89	Joback Calculated Property
Cp,gas	793.41	J/mol×K	853.51	Joback Calculated Property
Cp,gas	808.52	J/mol×K	890.14	Joback Calculated Property
Cp,gas	822.65	J/mol×K	926.76	Joback Calculated Property
Cp,gas	835.89	J/mol×K	963.39	Joback Calculated Property
Cp,gas	848.33	J/mol×K	1000.01	Joback Calculated Property
η	[0.0001051; 0.0011825]	Pa×s	[446.38; 780.26]
η	0.0011825	Pa×s	446.38	Joback Calculated Property
η	0.0006317	Pa×s	502.03	Joback Calculated Property
η	0.0003824	Pa×s	557.67	Joback Calculated Property
η	0.0002536	Pa×s	613.32	Joback Calculated Property
η	0.0001801	Pa×s	668.97	Joback Calculated Property
η	0.0001348	Pa×s	724.61	Joback Calculated Property
η	0.0001051	Pa×s	780.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, naphth-2-ylmethyl ester.

Sources

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

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