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

InChI

InChI=1S/C12H13Cl3O2/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

IBFRHXSHKRZPDS-UHFFFAOYSA-N

Formula

C12H13Cl3O2

SMILES

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

Molecular Weight¹

295.59

• 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°	37.06	kJ/mol	Joback Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	4.698		Crippen Calculated Property
McVol	200.340	ml/mol	McGowan Calculated Property
Inp	[2090.00; 2090.00]
Inp	2090.00		NIST
Inp	2090.00		NIST
Tboil	587.25	K	Relay (1.0) Calculated Property
Tfus	302.59	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	[467.47; 527.84]	J/mol×K	[681.31; 897.91]
Cp,gas	467.47	J/mol×K	681.31	Joback Calculated Property
Cp,gas	479.59	J/mol×K	717.41	Joback Calculated Property
Cp,gas	490.85	J/mol×K	753.51	Joback Calculated Property
Cp,gas	501.29	J/mol×K	789.61	Joback Calculated Property
Cp,gas	510.92	J/mol×K	825.71	Joback Calculated Property
Cp,gas	519.76	J/mol×K	861.81	Joback Calculated Property
Cp,gas	527.84	J/mol×K	897.91	Joback Calculated Property
η	[0.0001301; 0.0012093]	Pa×s	[408.55; 681.31]
η	0.0012093	Pa×s	408.55	Joback Calculated Property
η	0.0006925	Pa×s	454.01	Joback Calculated Property
η	0.0004389	Pa×s	499.47	Joback Calculated Property
η	0.0003001	Pa×s	544.93	Joback Calculated Property
η	0.0002176	Pa×s	590.39	Joback Calculated Property
η	0.0001652	Pa×s	635.85	Joback Calculated Property
η	0.0001301	Pa×s	681.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Chlorohexanoic 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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