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_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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.21	kJ/mol	Joback Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	5.584		Crippen Calculated Property
McVol	291.050	ml/mol	McGowan Calculated Property
Pc	1530.66	kPa	Joback Calculated Property
Inp	[2963.00; 2963.00]
Inp	2963.00		NIST
Inp	2963.00		NIST
Tboil	713.19	K	Relay (1.0) Calculated Property
Tfus	339.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[895.76; 962.12]	J/mol×K	[914.38; 1151.65]
Cp,gas	895.76	J/mol×K	914.38	Joback Calculated Property
Cp,gas	910.39	J/mol×K	953.92	Joback Calculated Property
Cp,gas	923.48	J/mol×K	993.47	Joback Calculated Property
Cp,gas	935.13	J/mol×K	1033.01	Joback Calculated Property
Cp,gas	945.39	J/mol×K	1072.56	Joback Calculated Property
Cp,gas	954.37	J/mol×K	1112.10	Joback Calculated Property
Cp,gas	962.12	J/mol×K	1151.65	Joback Calculated Property
η	[0.0000299; 0.0004178]	Pa×s	[516.58; 914.38]
η	0.0004178	Pa×s	516.58	Joback Calculated Property
η	0.0002097	Pa×s	582.88	Joback Calculated Property
η	0.0001211	Pa×s	649.18	Joback Calculated Property
η	0.0000775	Pa×s	715.48	Joback Calculated Property
η	0.0000535	Pa×s	781.78	Joback Calculated Property
η	0.0000391	Pa×s	848.08	Joback Calculated Property
η	0.0000299	Pa×s	914.38	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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