Chemical Properties of Nonanoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C22H28O3/c1-2-3-4-5-6-10-13-22(23)25-21-16-14-20(15-17-21)24-18-19-11-8-7-9-12-19/h7-9,11-12,14-17H,2-6,10,13,18H2,1H3

InChI Key

YFLCPINRCHRNBA-UHFFFAOYSA-N

Formula

C22H28O3

SMILES

CCCCCCCCC(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

340.46

Other Names

• Nonoic acid, 4-benzyloxyphenyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.9654		Relay (1.0) Calculated Property
ΔfH°gas	-465.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.99	kJ/mol	Joback Calculated Property
ΔvapH°	106.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	5.922		Crippen Calculated Property
McVol	286.630	ml/mol	McGowan Calculated Property
Pc	1376.84	kPa	Joback Calculated Property
Inp	[2783.00; 2783.00]
Inp	2783.00		NIST
Inp	2783.00		NIST
Tboil	668.84	K	Relay (1.0) Calculated Property
Tc	901.10	K	Relay (1.0) Calculated Property
Tfus	321.00	K	Relay (1.0) Calculated Property
Vc	1.066	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[876.75; 957.33]	J/mol×K	[841.94; 1054.51]
Cp,gas	876.75	J/mol×K	841.94	Joback Calculated Property
Cp,gas	893.35	J/mol×K	877.37	Joback Calculated Property
Cp,gas	908.63	J/mol×K	912.80	Joback Calculated Property
Cp,gas	922.62	J/mol×K	948.22	Joback Calculated Property
Cp,gas	935.37	J/mol×K	983.65	Joback Calculated Property
Cp,gas	946.93	J/mol×K	1019.08	Joback Calculated Property
Cp,gas	957.33	J/mol×K	1054.51	Joback Calculated Property
η	[0.0000386; 0.0006143]	Pa×s	[467.62; 841.94]
η	0.0006143	Pa×s	467.62	Joback Calculated Property
η	0.0002953	Pa×s	530.01	Joback Calculated Property
η	0.0001657	Pa×s	592.39	Joback Calculated Property
η	0.0001038	Pa×s	654.78	Joback Calculated Property
η	0.0000705	Pa×s	717.17	Joback Calculated Property
η	0.0000510	Pa×s	779.55	Joback Calculated Property
η	0.0000386	Pa×s	841.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 4-benzyloxyphenyl ester.

Sources

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

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