Chemical Properties of 2-chloroethyl nonadecanoate

InChI

InChI=1S/C21H41ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22/h2-20H2,1H3

InChI Key

VFAIYIHBNLHQDJ-UHFFFAOYSA-N

Formula

C21H41ClO2

SMILES

CCCCCCCCCCCCCCCCCCC(=O)OCCCl

Molecular Weight¹

361.00

• 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	1.0495		Relay (1.0) Calculated Property
ΔfH°gas	-821.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.71	kJ/mol	Joback Calculated Property
ΔvapH°	112.19	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-7.66		Relay (1.0) Calculated Property
logPoct/wat	7.420		Crippen Calculated Property
McVol	326.430	ml/mol	McGowan Calculated Property
Pc	937.49	kPa	Joback Calculated Property
Inp	[2510.00; 2513.00]
Inp	2510.00		NIST
Inp	2513.00		NIST
Inp	2513.00		NIST
I	[2997.00; 3009.00]
I	2997.00		NIST
I	2999.00		NIST
I	3009.00		NIST
I	3003.00		NIST
I	3003.00		NIST
I	2997.00		NIST
Tboil	616.00	K	Relay (1.0) Calculated Property
Tc	813.64	K	Relay (1.0) Calculated Property
Tfus	309.51	K	Relay (1.0) Calculated Property
Vc	1.262	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	[995.91; 1097.53]	J/mol×K	[775.73; 952.71]
Cp,gas	995.91	J/mol×K	775.73	Joback Calculated Property
Cp,gas	1015.29	J/mol×K	805.23	Joback Calculated Property
Cp,gas	1033.65	J/mol×K	834.72	Joback Calculated Property
Cp,gas	1051.02	J/mol×K	864.22	Joback Calculated Property
Cp,gas	1067.44	J/mol×K	893.72	Joback Calculated Property
Cp,gas	1082.93	J/mol×K	923.21	Joback Calculated Property
Cp,gas	1097.53	J/mol×K	952.71	Joback Calculated Property
η	[0.0000492; 0.0015846]	Pa×s	[398.68; 775.73]
η	0.0015846	Pa×s	398.68	Joback Calculated Property
η	0.0005989	Pa×s	461.52	Joback Calculated Property
η	0.0002858	Pa×s	524.36	Joback Calculated Property
η	0.0001598	Pa×s	587.21	Joback Calculated Property
η	0.0001000	Pa×s	650.05	Joback Calculated Property
η	0.0000679	Pa×s	712.89	Joback Calculated Property
η	0.0000492	Pa×s	775.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-chloroethyl nonadecanoate.

Sources

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

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