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

InChI

InChI=1S/C17H17ClO2/c18-15-10-12-16(13-11-15)20-17(19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2

InChI Key

QTDNOYVRUFYGHX-UHFFFAOYSA-N

Formula

C17H17ClO2

SMILES

O=C(CCCCc1ccccc1)Oc1ccc(Cl)cc1

Molecular Weight¹

288.77

• 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°	36.04	kJ/mol	Joback Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	4.658		Crippen Calculated Property
McVol	222.550	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[2272.00; 2272.00]
Inp	2272.00		NIST
Inp	2272.00		NIST
Tboil	638.65	K	Relay (1.0) Calculated Property
Tfus	312.22	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	[593.18; 666.58]	J/mol×K	[742.55; 972.98]
Cp,gas	593.18	J/mol×K	742.55	Joback Calculated Property
Cp,gas	608.36	J/mol×K	780.96	Joback Calculated Property
Cp,gas	622.29	J/mol×K	819.36	Joback Calculated Property
Cp,gas	635.02	J/mol×K	857.77	Joback Calculated Property
Cp,gas	646.60	J/mol×K	896.17	Joback Calculated Property
Cp,gas	657.11	J/mol×K	934.58	Joback Calculated Property
Cp,gas	666.58	J/mol×K	972.98	Joback Calculated Property
η	[0.0000875; 0.0011634]	Pa×s	[418.96; 742.55]
η	0.0011634	Pa×s	418.96	Joback Calculated Property
η	0.0005911	Pa×s	472.89	Joback Calculated Property
η	0.0003449	Pa×s	526.82	Joback Calculated Property
η	0.0002225	Pa×s	580.75	Joback Calculated Property
η	0.0001546	Pa×s	634.69	Joback Calculated Property
η	0.0001137	Pa×s	688.62	Joback Calculated Property
η	0.0000875	Pa×s	742.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Phenylvaleric acid, 4-chlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.