Chemical Properties of 2-chloroethyl eicosanoate

InChI

InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h2-21H2,1H3

InChI Key

XAARWHAYKZHMOM-UHFFFAOYSA-N

Formula

C22H43ClO2

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCCCl

Molecular Weight¹

375.03

• 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	1.0845		Relay (1.0) Calculated Property
ΔfH°gas	-842.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.30	kJ/mol	Joback Calculated Property
ΔvapH°	116.50	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	-7.96		Relay (1.0) Calculated Property
logPoct/wat	7.810		Crippen Calculated Property
McVol	340.520	ml/mol	McGowan Calculated Property
Pc	884.72	kPa	Joback Calculated Property
Inp	[2611.00; 2614.00]
Inp	2611.00		NIST
Inp	2614.00		NIST
Inp	2611.00		NIST
I	[3100.00; 3111.00]
I	3100.00		NIST
I	3102.00		NIST
I	3111.00		NIST
I	3108.00		NIST
I	3100.00		NIST
Tboil	622.35	K	Relay (1.0) Calculated Property
Tc	820.65	K	Relay (1.0) Calculated Property
Tfus	312.41	K	Relay (1.0) Calculated Property
Vc	1.318	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	[1057.35; 1160.89]	J/mol×K	[798.61; 978.93]
Cp,gas	1057.35	J/mol×K	798.61	Joback Calculated Property
Cp,gas	1077.19	J/mol×K	828.66	Joback Calculated Property
Cp,gas	1095.95	J/mol×K	858.72	Joback Calculated Property
Cp,gas	1113.66	J/mol×K	888.77	Joback Calculated Property
Cp,gas	1130.37	J/mol×K	918.83	Joback Calculated Property
Cp,gas	1146.10	J/mol×K	948.88	Joback Calculated Property
Cp,gas	1160.89	J/mol×K	978.93	Joback Calculated Property
η	[0.0000424; 0.0013947]	Pa×s	[409.95; 798.61]
η	0.0013947	Pa×s	409.95	Joback Calculated Property
η	0.0005237	Pa×s	474.73	Joback Calculated Property
η	0.0002488	Pa×s	539.50	Joback Calculated Property
η	0.0001386	Pa×s	604.28	Joback Calculated Property
η	0.0000865	Pa×s	669.06	Joback Calculated Property
η	0.0000587	Pa×s	733.83	Joback Calculated Property
η	0.0000424	Pa×s	798.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-chloroethyl eicosanoate.

Sources

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

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