Chemical Properties of 2-Chloroethyl palmitate

InChI

InChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h2-17H2,1H3

InChI Key

CPFFARIYTPCNJA-UHFFFAOYSA-N

Formula

C18H35ClO2

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCl

Molecular Weight¹

318.93

Other Names

• 2-Chloroethyl hexadecanoate
• Hexadecanoic acid, 2-chloroethyl ester
• NSC 406555

• 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	0.9442		Relay (1.0) Calculated Property
ΔfH°gas	-760.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.94	kJ/mol	Joback Calculated Property
ΔvapH°	99.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	6.250		Crippen Calculated Property
McVol	284.160	ml/mol	McGowan Calculated Property
Pc	1127.59	kPa	Joback Calculated Property
Inp	[2196.00; 2207.00]
Inp	2196.00		NIST
Inp	2202.00		NIST
Inp	2207.00		NIST
Inp	2207.00		NIST
Inp	2207.00		NIST
Inp	2196.00		NIST
I	[2672.00; 2701.00]
I	2672.00		NIST
I	2675.00		NIST
I	2691.00		NIST
I	2692.00		NIST
I	2701.00		NIST
I	2690.00		NIST
Tboil	596.06	K	Relay (1.0) Calculated Property
Tc	791.40	K	Relay (1.0) Calculated Property
Tfus	298.91	K	Relay (1.0) Calculated Property
Vc	1.093	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	[816.89; 912.99]	J/mol×K	[707.09; 878.08]
Cp,gas	816.89	J/mol×K	707.09	Joback Calculated Property
Cp,gas	835.03	J/mol×K	735.59	Joback Calculated Property
Cp,gas	852.29	J/mol×K	764.09	Joback Calculated Property
Cp,gas	868.69	J/mol×K	792.58	Joback Calculated Property
Cp,gas	884.26	J/mol×K	821.08	Joback Calculated Property
Cp,gas	899.02	J/mol×K	849.58	Joback Calculated Property
Cp,gas	912.99	J/mol×K	878.08	Joback Calculated Property
η	[0.0000756; 0.0022736]	Pa×s	[364.87; 707.09]
η	0.0022736	Pa×s	364.87	Joback Calculated Property
η	0.0008785	Pa×s	421.91	Joback Calculated Property
η	0.0004258	Pa×s	478.94	Joback Calculated Property
η	0.0002407	Pa×s	535.98	Joback Calculated Property
η	0.0001519	Pa×s	593.02	Joback Calculated Property
η	0.0001039	Pa×s	650.05	Joback Calculated Property
η	0.0000756	Pa×s	707.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroethyl palmitate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.