Chemical Properties of 6-Bromohexanoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C12H13BrCl2O2/c13-7-3-1-2-4-12(16)17-9-5-6-10(14)11(15)8-9/h5-6,8H,1-4,7H2

InChI Key

QOZCUULOIRYKJL-UHFFFAOYSA-N

Formula

C12H13BrCl2O2

SMILES

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

Molecular Weight¹

340.04

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.15	kJ/mol	Joback Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	4.854		Crippen Calculated Property
McVol	205.600	ml/mol	McGowan Calculated Property
Inp	[2186.00; 2186.00]
Inp	2186.00		NIST
Inp	2186.00		NIST
Tboil	604.52	K	Relay (1.0) Calculated Property
Tfus	314.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[478.05; 535.78]	J/mol×K	[710.04; 934.12]
Cp,gas	478.05	J/mol×K	710.04	Joback Calculated Property
Cp,gas	489.76	J/mol×K	747.39	Joback Calculated Property
Cp,gas	500.59	J/mol×K	784.73	Joback Calculated Property
Cp,gas	510.58	J/mol×K	822.08	Joback Calculated Property
Cp,gas	519.75	J/mol×K	859.43	Joback Calculated Property
Cp,gas	528.14	J/mol×K	896.78	Joback Calculated Property
Cp,gas	535.78	J/mol×K	934.12	Joback Calculated Property
η	[0.0001227; 0.0009856]	Pa×s	[438.43; 710.04]
η	0.0009856	Pa×s	438.43	Joback Calculated Property
η	0.0005919	Pa×s	483.70	Joback Calculated Property
η	0.0003879	Pa×s	528.97	Joback Calculated Property
η	0.0002717	Pa×s	574.24	Joback Calculated Property
η	0.0002005	Pa×s	619.50	Joback Calculated Property
η	0.0001542	Pa×s	664.77	Joback Calculated Property
η	0.0001227	Pa×s	710.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Bromohexanoic 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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