Chemical Properties of 2,2-dichloroethyl pentanoate

InChI

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

InChI Key

BVCTXKLIWBDXTL-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

CCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

199.08

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5284		Relay (1.0) Calculated Property
ΔfH°gas	-542.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.13	kJ/mol	Joback Calculated Property
ΔvapH°	58.54	kJ/mol	Relay (1.0) Calculated Property
IE	10.52	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.524		Crippen Calculated Property
McVol	141.410	ml/mol	McGowan Calculated Property
Pc	2627.15	kPa	Joback Calculated Property
Inp	[1178.00; 1200.00]
Inp	1178.00		NIST
Inp	1184.00		NIST
Inp	1180.00		NIST
Inp	1200.00		NIST
Inp	1191.00		NIST
Inp	1178.00		NIST
I	[1657.00; 1705.00]
I	1660.00		NIST
I	1685.00		NIST
I	1669.00		NIST
I	1705.00		NIST
I	1657.00		NIST
I	1678.00		NIST
I	1678.00		NIST
Tboil	482.51	K	Relay (1.0) Calculated Property
Tc	672.72	K	Relay (1.0) Calculated Property
Tfus	226.92	K	Relay (1.0) Calculated Property
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it 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 2,2-dichloroethyl pentanoate.

Sources

• Cheméo Relay (1.0)
• 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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