Chemical Properties of 4-chlorobutyl chloroacetate

InChI

InChI=1S/C6H10Cl2O2/c7-3-1-2-4-10-6(9)5-8/h1-5H2

InChI Key

DQLULOGYMQTGQE-UHFFFAOYSA-N

Formula

C6H10Cl2O2

SMILES

O=C(CCl)OCCCCCl

Molecular Weight¹

185.05

Other Names

• 1-Butanol, 4-chloro, chloroacetate

• 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).
• 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.
• I : 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
ΔfH°gas	-517.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.06	kJ/mol	Joback Calculated Property
ΔvapH°	56.04	kJ/mol	Relay (1.0) Calculated Property
IE	10.39	eV	Relay (1.0) Calculated Property
log10WS	-2.03		Relay (1.0) Calculated Property
logPoct/wat	1.787		Crippen Calculated Property
McVol	127.320	ml/mol	McGowan Calculated Property
Inp	[1241.00; 1251.00]
Inp	1247.00		NIST
Inp	1241.00		NIST
Inp	1247.00		NIST
Inp	1251.00		NIST
I	[1968.00; 2036.00]
I	1968.00		NIST
I	2010.00		NIST
I	2017.00		NIST
I	2028.00		NIST
I	2036.00		NIST
I	1968.00		NIST
Tboil	494.07	K	Relay (1.0) Calculated Property
Tfus	251.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[246.17; 297.18]	J/mol×K	[469.96; 657.19]
Cp,gas	246.17	J/mol×K	469.96	Joback Calculated Property
Cp,gas	255.71	J/mol×K	501.16	Joback Calculated Property
Cp,gas	264.83	J/mol×K	532.37	Joback Calculated Property
Cp,gas	273.54	J/mol×K	563.57	Joback Calculated Property
Cp,gas	281.83	J/mol×K	594.78	Joback Calculated Property
Cp,gas	289.71	J/mol×K	625.98	Joback Calculated Property
Cp,gas	297.18	J/mol×K	657.19	Joback Calculated Property
η	[0.0002889; 0.0046265]	Pa×s	[259.55; 469.96]
η	0.0046265	Pa×s	259.55	Joback Calculated Property
η	0.0022133	Pa×s	294.62	Joback Calculated Property
η	0.0012386	Pa×s	329.69	Joback Calculated Property
η	0.0007750	Pa×s	364.75	Joback Calculated Property
η	0.0005265	Pa×s	399.82	Joback Calculated Property
η	0.0003807	Pa×s	434.89	Joback Calculated Property
η	0.0002889	Pa×s	469.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-chlorobutyl chloroacetate.

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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