Chemical Properties of 2-chloroethyl undecanoate

InChI

InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-13(15)16-12-11-14/h2-12H2,1H3

InChI Key

XFCXIVMYZNRAFR-UHFFFAOYSA-N

Formula

C13H25ClO2

SMILES

CCCCCCCCCCC(=O)OCCCl

Molecular Weight¹

248.79

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.7679		Relay (1.0) Calculated Property
ΔfG°	-187.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.41	kJ/mol	Joback Calculated Property
ΔvapH°	75.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.299		Crippen Calculated Property
McVol	213.710	ml/mol	McGowan Calculated Property
Pc	1656.49	kPa	Joback Calculated Property
Inp	[1693.00; 1712.00]
Inp	1693.00		NIST
Inp	1693.00		NIST
Inp	1697.00		NIST
Inp	1699.00		NIST
Inp	Outlier 1712.00		NIST
Inp	1701.00		NIST
Inp	1693.00		NIST
Inp	1701.00		NIST
I	[2158.00; 2200.00]
I	2158.00		NIST
I	2168.00		NIST
I	2168.00		NIST
I	2182.00		NIST
I	2181.00		NIST
I	2200.00		NIST
I	2169.00		NIST
I	2169.00		NIST
I	2158.00		NIST
I	2200.00		NIST
Tboil	554.93	K	Relay (1.0) Calculated Property
Tc	741.03	K	Relay (1.0) Calculated Property
Tfus	271.33	K	Relay (1.0) Calculated Property
Vc	0.809	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.83; 631.77]	J/mol×K	[610.56; 784.07]
Cp,gas	547.83	J/mol×K	610.56	Joback Calculated Property
Cp,gas	563.46	J/mol×K	639.48	Joback Calculated Property
Cp,gas	578.43	J/mol×K	668.40	Joback Calculated Property
Cp,gas	592.72	J/mol×K	697.32	Joback Calculated Property
Cp,gas	606.37	J/mol×K	726.24	Joback Calculated Property
Cp,gas	619.38	J/mol×K	755.15	Joback Calculated Property
Cp,gas	631.77	J/mol×K	784.07	Joback Calculated Property
η	[0.0001590; 0.0024461]	Pa×s	[338.35; 610.56]
η	0.0024461	Pa×s	338.35	Joback Calculated Property
η	0.0011849	Pa×s	383.72	Joback Calculated Property
η	0.0006691	Pa×s	429.09	Joback Calculated Property
η	0.0004215	Pa×s	474.45	Joback Calculated Property
η	0.0002878	Pa×s	519.82	Joback Calculated Property
η	0.0002089	Pa×s	565.19	Joback Calculated Property
η	0.0001590	Pa×s	610.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-chloroethyl undecanoate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.