Chemical Properties of 3-chlorobutyl chloroacetate

InChI

InChI=1S/C6H10Cl2O2/c1-5(8)2-3-10-6(9)4-7/h5H,2-4H2,1H3

InChI Key

ZCZCJDWAJMVFSF-UHFFFAOYSA-N

Formula

C6H10Cl2O2

SMILES

CC(Cl)CCOC(=O)CCl

Molecular Weight¹

185.05

Other Names

• 1-Butanol, 3-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).
• P_c : Critical Pressure (kPa).
• 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	-535.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.54	kJ/mol	Joback Calculated Property
ΔvapH°	53.39	kJ/mol	Relay (1.0) Calculated Property
IE	10.34	eV	Relay (1.0) Calculated Property
log10WS	-1.85		Relay (1.0) Calculated Property
logPoct/wat	1.786		Crippen Calculated Property
McVol	127.320	ml/mol	McGowan Calculated Property
Pc	2906.11	kPa	Joback Calculated Property
Inp	[1174.00; 1182.00]
Inp	1182.00		NIST
Inp	1174.00		NIST
Inp	1178.00		NIST
Inp	1181.00		NIST
Inp	1182.00		NIST
I	[1840.00; 1907.00]
I	1840.00		NIST
I	1844.00		NIST
I	1884.00		NIST
I	1890.00		NIST
I	1898.00		NIST
I	1907.00		NIST
I	1840.00		NIST
I	1907.00		NIST
Tboil	485.78	K	Relay (1.0) Calculated Property
Tc	685.11	K	Relay (1.0) Calculated Property
Tfus	246.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[246.37; 298.73]	J/mol×K	[469.52; 660.92]
Cp,gas	246.37	J/mol×K	469.52	Joback Calculated Property
Cp,gas	256.21	J/mol×K	501.42	Joback Calculated Property
Cp,gas	265.60	J/mol×K	533.32	Joback Calculated Property
Cp,gas	274.54	J/mol×K	565.22	Joback Calculated Property
Cp,gas	283.04	J/mol×K	597.12	Joback Calculated Property
Cp,gas	291.10	J/mol×K	629.02	Joback Calculated Property
Cp,gas	298.73	J/mol×K	660.92	Joback Calculated Property
η	[0.0002748; 0.0069060]	Pa×s	[244.55; 469.52]
η	0.0069060	Pa×s	244.55	Joback Calculated Property
η	0.0028231	Pa×s	282.05	Joback Calculated Property
η	0.0014236	Pa×s	319.54	Joback Calculated Property
η	0.0008289	Pa×s	357.03	Joback Calculated Property
η	0.0005349	Pa×s	394.53	Joback Calculated Property
η	0.0003725	Pa×s	432.02	Joback Calculated Property
η	0.0002748	Pa×s	469.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-chlorobutyl chloroacetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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