Chemical Properties of 2,2-dichloroethyl hexadecanoate

InChI

InChI=1S/C18H34Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)22-16-17(19)20/h17H,2-16H2,1H3

InChI Key

KHCNMQCCZLLSQF-UHFFFAOYSA-N

Formula

C18H34Cl2O2

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

353.37

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9375		Relay (1.0) Calculated Property
ΔfH°gas	-775.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.62	kJ/mol	Joback Calculated Property
ΔvapH°	104.05	kJ/mol	Relay (1.0) Calculated Property
IE	10.17	eV	Relay (1.0) Calculated Property
log10WS	-7.08		Relay (1.0) Calculated Property
logPoct/wat	6.815		Crippen Calculated Property
McVol	296.400	ml/mol	McGowan Calculated Property
Pc	1105.94	kPa	Joback Calculated Property
Inp	[2293.00; 2301.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Inp	2301.00		NIST
Inp	2301.00		NIST
Inp	2301.00		NIST
I	[2765.00; 2792.00]
I	2765.00		NIST
I	2781.00		NIST
I	2785.00		NIST
I	2792.00		NIST
I	2780.00		NIST
I	2765.00		NIST
I	2780.00		NIST
Tboil	605.67	K	Relay (1.0) Calculated Property
Tc	803.41	K	Relay (1.0) Calculated Property
Tfus	301.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[851.36; 942.59]	J/mol×K	[744.08; 922.12]
Cp,gas	851.36	J/mol×K	744.08	Joback Calculated Property
Cp,gas	868.79	J/mol×K	773.75	Joback Calculated Property
Cp,gas	885.30	J/mol×K	803.43	Joback Calculated Property
Cp,gas	900.91	J/mol×K	833.10	Joback Calculated Property
Cp,gas	915.64	J/mol×K	862.77	Joback Calculated Property
Cp,gas	929.53	J/mol×K	892.44	Joback Calculated Property
Cp,gas	942.59	J/mol×K	922.12	Joback Calculated Property
η	[0.0000603; 0.0021603]	Pa×s	[379.79; 744.08]
η	0.0021603	Pa×s	379.79	Joback Calculated Property
η	0.0007890	Pa×s	440.50	Joback Calculated Property
η	0.0003678	Pa×s	501.22	Joback Calculated Property
η	0.0002022	Pa×s	561.93	Joback Calculated Property
η	0.0001249	Pa×s	622.65	Joback Calculated Property
η	0.0000841	Pa×s	683.37	Joback Calculated Property
η	0.0000603	Pa×s	744.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-dichloroethyl hexadecanoate.

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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