Chemical Properties of 4-Chlorobutyric acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C10H9Cl3O2/c11-5-1-2-10(14)15-7-3-4-8(12)9(13)6-7/h3-4,6H,1-2,5H2

InChI Key

DILXPIIEMXUPCA-UHFFFAOYSA-N

Formula

C10H9Cl3O2

SMILES

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

Molecular Weight¹

267.54

• 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).
• 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°	31.88	kJ/mol	Joback Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	3.918		Crippen Calculated Property
McVol	172.160	ml/mol	McGowan Calculated Property
Inp	[1845.00; 1938.00]
Inp	1938.00		NIST
Inp	1845.00		NIST
Inp	1938.00		NIST
Tboil	570.58	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 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	[369.76; 423.06]	J/mol×K	[635.55; 859.86]
Cp,gas	369.76	J/mol×K	635.55	Joback Calculated Property
Cp,gas	380.51	J/mol×K	672.93	Joback Calculated Property
Cp,gas	390.50	J/mol×K	710.32	Joback Calculated Property
Cp,gas	399.73	J/mol×K	747.70	Joback Calculated Property
Cp,gas	408.22	J/mol×K	785.09	Joback Calculated Property
Cp,gas	415.99	J/mol×K	822.47	Joback Calculated Property
Cp,gas	423.06	J/mol×K	859.86	Joback Calculated Property
η	[0.0001658; 0.0013849]	Pa×s	[386.01; 635.55]
η	0.0013849	Pa×s	386.01	Joback Calculated Property
η	0.0008186	Pa×s	427.60	Joback Calculated Property
η	0.0005312	Pa×s	469.19	Joback Calculated Property
η	0.0003698	Pa×s	510.78	Joback Calculated Property
η	0.0002719	Pa×s	552.37	Joback Calculated Property
η	0.0002087	Pa×s	593.96	Joback Calculated Property
η	0.0001658	Pa×s	635.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobutyric 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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