Chemical Properties of CHLOROMETHYL 5-CHLOROHEXANOATE

InChI

InChI=1S/C7H12Cl2O2/c1-6(9)3-2-4-7(10)11-5-8/h6H,2-5H2,1H3

InChI Key

PZVNORNNHRGBRP-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

CC(Cl)CCCC(=O)OCCl

Molecular Weight¹

199.08

Other Names

• 5-Chlorohexanoic acid, chloromethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-568.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.13	kJ/mol	Joback Calculated Property
ΔvapH°	60.97	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.48		Relay (1.0) Calculated Property
logPoct/wat	2.524		Crippen Calculated Property
McVol	141.410	ml/mol	McGowan Calculated Property
Inp	[1259.00; 1277.00]
Inp	1259.00		NIST
Inp	1277.00		NIST
Inp	1275.00		NIST
Inp	1265.00		NIST
I	[1867.00; 1905.00]
I	1867.00		NIST
I	1883.00		NIST
I	1905.00		NIST
Tboil	500.54	K	Relay (1.0) Calculated Property
Tc	694.43	K	Relay (1.0) Calculated Property
Tfus	240.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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	[287.57; 345.80]	J/mol×K	[492.40; 681.64]
Cp,gas	287.57	J/mol×K	492.40	Joback Calculated Property
Cp,gas	298.52	J/mol×K	523.94	Joback Calculated Property
Cp,gas	308.97	J/mol×K	555.48	Joback Calculated Property
Cp,gas	318.91	J/mol×K	587.02	Joback Calculated Property
Cp,gas	328.36	J/mol×K	618.56	Joback Calculated Property
Cp,gas	337.32	J/mol×K	650.10	Joback Calculated Property
Cp,gas	345.80	J/mol×K	681.64	Joback Calculated Property
η	[0.0002492; 0.0065410]	Pa×s	[255.82; 492.40]
η	0.0065410	Pa×s	255.82	Joback Calculated Property
η	0.0026376	Pa×s	295.25	Joback Calculated Property
η	0.0013174	Pa×s	334.68	Joback Calculated Property
η	0.0007617	Pa×s	374.11	Joback Calculated Property
η	0.0004889	Pa×s	413.54	Joback Calculated Property
η	0.0003390	Pa×s	452.97	Joback Calculated Property
η	0.0002492	Pa×s	492.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to CHLOROMETHYL 5-CHLOROHEXANOATE.

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

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