Chemical Properties of 2,2-dichloroethyl eicosanoate

InChI

InChI=1S/C22H42Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)26-20-21(23)24/h21H,2-20H2,1H3

InChI Key

GQOAJQKJBXTXBR-UHFFFAOYSA-N

Formula

C22H42Cl2O2

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

409.47

• 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	1.0784		Relay (1.0) Calculated Property
ΔfH°gas	-859.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.98	kJ/mol	Joback Calculated Property
ΔvapH°	120.90	kJ/mol	Relay (1.0) Calculated Property
IE	10.29	eV	Relay (1.0) Calculated Property
log10WS	-8.31		Relay (1.0) Calculated Property
logPoct/wat	8.375		Crippen Calculated Property
McVol	352.760	ml/mol	McGowan Calculated Property
Pc	869.65	kPa	Joback Calculated Property
Inp	[2704.00; 2708.00]
Inp	2704.00		NIST
Inp	2708.00		NIST
Inp	2708.00		NIST
Inp	2704.00		NIST
I	[3189.00; 3203.00]
I	3189.00		NIST
I	3194.00		NIST
I	3203.00		NIST
I	3199.00		NIST
I	3199.00		NIST
I	3189.00		NIST
Tboil	632.20	K	Relay (1.0) Calculated Property
Tc	832.02	K	Relay (1.0) Calculated Property
Tfus	313.90	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	[1091.91; 1189.84]	J/mol×K	[835.60; 1023.72]
Cp,gas	1091.91	J/mol×K	835.60	Joback Calculated Property
Cp,gas	1110.92	J/mol×K	866.95	Joback Calculated Property
Cp,gas	1128.81	J/mol×K	898.31	Joback Calculated Property
Cp,gas	1145.60	J/mol×K	929.66	Joback Calculated Property
Cp,gas	1161.35	J/mol×K	961.01	Joback Calculated Property
Cp,gas	1176.08	J/mol×K	992.37	Joback Calculated Property
Cp,gas	1189.84	J/mol×K	1023.72	Joback Calculated Property
η	[0.0000329; 0.0012620]	Pa×s	[424.87; 835.60]
η	0.0012620	Pa×s	424.87	Joback Calculated Property
η	0.0004508	Pa×s	493.32	Joback Calculated Property
η	0.0002069	Pa×s	561.78	Joback Calculated Property
η	0.0001125	Pa×s	630.23	Joback Calculated Property
η	0.0000689	Pa×s	698.69	Joback Calculated Property
η	0.0000461	Pa×s	767.14	Joback Calculated Property
η	0.0000329	Pa×s	835.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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