Chemical Properties of Propanoic acid, 3-(4-benzyloxyphenyl)-, methyl ester (CAS 24807-40-7)

InChI

InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3

InChI Key

XAAMAAXKDLWBKO-UHFFFAOYSA-N

Formula

C17H18O3

SMILES

COC(=O)CCc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

270.32

CAS

24807-40-7

Other Names

• Methyl 3-[4-(benzyloxy)phenyl]propanoate
• 3-(4-Benzyloxyphenyl)-propionic acid, methyl ester

• 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	0.7205		Relay (1.0) Calculated Property
ΔfG°	-31.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-349.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.45	kJ/mol	Joback Calculated Property
ΔvapH°	97.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	3.371		Crippen Calculated Property
McVol	216.180	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Inp	[2178.00; 2178.00]
Inp	2178.00		NIST
Inp	2178.00		NIST
Tboil	632.56	K	Relay (1.0) Calculated Property
Tc	862.83	K	Relay (1.0) Calculated Property
Tfus	311.11	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.41; 675.53]	J/mol×K	[745.41; 971.98]
Cp,gas	598.41	J/mol×K	745.41	Joback Calculated Property
Cp,gas	614.18	J/mol×K	783.17	Joback Calculated Property
Cp,gas	628.74	J/mol×K	820.93	Joback Calculated Property
Cp,gas	642.13	J/mol×K	858.69	Joback Calculated Property
Cp,gas	654.37	J/mol×K	896.46	Joback Calculated Property
Cp,gas	665.49	J/mol×K	934.22	Joback Calculated Property
Cp,gas	675.53	J/mol×K	971.98	Joback Calculated Property
η	[0.0000844; 0.0007907]	Pa×s	[441.10; 745.41]
η	0.0007907	Pa×s	441.10	Joback Calculated Property
η	0.0004493	Pa×s	491.82	Joback Calculated Property
η	0.0002838	Pa×s	542.54	Joback Calculated Property
η	0.0001939	Pa×s	593.25	Joback Calculated Property
η	0.0001407	Pa×s	643.97	Joback Calculated Property
η	0.0001070	Pa×s	694.69	Joback Calculated Property
η	0.0000844	Pa×s	745.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-(4-benzyloxyphenyl)-, methyl ester.

Sources

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

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