Chemical Properties of 5-Phenylvaleric acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C24H24O3/c25-24(14-8-7-11-20-9-3-1-4-10-20)27-23-17-15-22(16-18-23)26-19-21-12-5-2-6-13-21/h1-6,9-10,12-13,15-18H,7-8,11,14,19H2

InChI Key

FLPKMKUBKOGWHP-UHFFFAOYSA-N

Formula

C24H24O3

SMILES

O=C(CCCCc1ccccc1)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

360.45

• 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).
• 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
ΔfG°	139.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.59	kJ/mol	Joback Calculated Property
ΔfusH°	43.62	kJ/mol	Joback Calculated Property
ΔvapH°	88.07	kJ/mol	Joback Calculated Property
log10WS	-6.89		Crippen Calculated Property
logPoct/wat	5.584		Crippen Calculated Property
McVol	291.050	ml/mol	McGowan Calculated Property
Pc	1580.97	kPa	Joback Calculated Property
Inp	[2963.00; 2963.00]
Inp	2963.00		NIST
Inp	2963.00		NIST
Tboil	932.25	K	Joback Calculated Property
Tc	1171.23	K	Joback Calculated Property
Tfus	546.41	K	Joback Calculated Property
Vc	1.097	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.13; 967.68]	J/mol×K	[932.25; 1171.23]
Cp,gas	901.13	J/mol×K	932.25	Joback Calculated Property
Cp,gas	915.63	J/mol×K	972.08	Joback Calculated Property
Cp,gas	928.66	J/mol×K	1011.91	Joback Calculated Property
Cp,gas	940.31	J/mol×K	1051.74	Joback Calculated Property
Cp,gas	950.64	J/mol×K	1091.57	Joback Calculated Property
Cp,gas	959.74	J/mol×K	1131.40	Joback Calculated Property
Cp,gas	967.68	J/mol×K	1171.23	Joback Calculated Property
η	[0.0000345; 0.0003632]	Pa×s	[546.41; 932.25]
η	0.0003632	Pa×s	546.41	Joback Calculated Property
η	0.0001995	Pa×s	610.72	Joback Calculated Property
η	0.0001228	Pa×s	675.02	Joback Calculated Property
η	0.0000823	Pa×s	739.33	Joback Calculated Property
η	0.0000588	Pa×s	803.64	Joback Calculated Property
η	0.0000441	Pa×s	867.94	Joback Calculated Property
η	0.0000345	Pa×s	932.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Phenylvaleric acid, 4-benzyloxyphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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