Chemical Properties of 5-Chlorovaleric acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C11H11Cl3O2/c12-6-2-1-3-11(15)16-8-4-5-9(13)10(14)7-8/h4-5,7H,1-3,6H2

InChI Key

BYNHRZMXLGSQAV-UHFFFAOYSA-N

Formula

C11H11Cl3O2

SMILES

O=C(CCCCCl)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

281.57

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	4.308		Crippen Calculated Property
McVol	186.250	ml/mol	McGowan Calculated Property
Inp	[1969.00; 1969.00]
Inp	1969.00		NIST
Inp	1969.00		NIST
Tboil	580.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[417.89; 475.00]	J/mol×K	[658.43; 878.71]
Cp,gas	417.89	J/mol×K	658.43	Joback Calculated Property
Cp,gas	429.38	J/mol×K	695.14	Joback Calculated Property
Cp,gas	440.05	J/mol×K	731.86	Joback Calculated Property
Cp,gas	449.93	J/mol×K	768.57	Joback Calculated Property
Cp,gas	459.04	J/mol×K	805.29	Joback Calculated Property
Cp,gas	467.38	J/mol×K	842.00	Joback Calculated Property
Cp,gas	475.00	J/mol×K	878.71	Joback Calculated Property
η	[0.0001472; 0.0012987]	Pa×s	[397.28; 658.43]
η	0.0012987	Pa×s	397.28	Joback Calculated Property
η	0.0007553	Pa×s	440.81	Joback Calculated Property
η	0.0004842	Pa×s	484.33	Joback Calculated Property
η	0.0003340	Pa×s	527.86	Joback Calculated Property
η	0.0002439	Pa×s	571.38	Joback Calculated Property
η	0.0001861	Pa×s	614.91	Joback Calculated Property
η	0.0001472	Pa×s	658.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric acid, 3,4-dichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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