Chemical Properties of 2-Chloroethyl caprate (CAS 15175-04-9)

InChI

InChI=1S/C12H23ClO2/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13/h2-11H2,1H3

InChI Key

WRIOEJKKXQEEFB-UHFFFAOYSA-N

Formula

C12H23ClO2

SMILES

CCCCCCCCCC(=O)OCCCl

Molecular Weight¹

234.76

CAS

15175-04-9

Other Names

• 2-Chloroethyl decanoate
• Decanoic acid, 2-chloroethyl ester

• 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	0.7320		Relay (1.0) Calculated Property
ΔfG°	-195.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-635.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.82	kJ/mol	Joback Calculated Property
ΔvapH°	71.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
McVol	199.620	ml/mol	McGowan Calculated Property
Pc	1793.94	kPa	Joback Calculated Property
Inp	[1591.00; 1604.00]
Inp	1591.00		NIST
Inp	1593.00		NIST
Inp	1596.00		NIST
Inp	1596.00		NIST
Inp	1604.00		NIST
Inp	1600.00		NIST
Inp	1600.00		NIST
Inp	1591.00		NIST
Inp	1600.00		NIST
I	[2058.00; 2101.00]
I	2058.00		NIST
I	2071.00		NIST
I	2064.00		NIST
I	2087.00		NIST
I	2080.00		NIST
I	2101.00		NIST
I	2068.00		NIST
I	2058.00		NIST
I	2101.00		NIST
Tboil	542.96	K	Relay (1.0) Calculated Property
Tc	728.93	K	Relay (1.0) Calculated Property
Tfus	263.08	K	Relay (1.0) Calculated Property
Vc	0.754	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.42; 577.32]	J/mol×K	[587.68; 762.26]
Cp,gas	496.42	J/mol×K	587.68	Joback Calculated Property
Cp,gas	511.47	J/mol×K	616.78	Joback Calculated Property
Cp,gas	525.87	J/mol×K	645.87	Joback Calculated Property
Cp,gas	539.64	J/mol×K	674.97	Joback Calculated Property
Cp,gas	552.80	J/mol×K	704.07	Joback Calculated Property
Cp,gas	565.36	J/mol×K	733.17	Joback Calculated Property
Cp,gas	577.32	J/mol×K	762.26	Joback Calculated Property
η	[0.0001781; 0.0026085]	Pa×s	[327.08; 587.68]
η	0.0026085	Pa×s	327.08	Joback Calculated Property
η	0.0012830	Pa×s	370.51	Joback Calculated Property
η	0.0007323	Pa×s	413.95	Joback Calculated Property
η	0.0004650	Pa×s	457.38	Joback Calculated Property
η	0.0003194	Pa×s	500.81	Joback Calculated Property
η	0.0002330	Pa×s	544.25	Joback Calculated Property
η	0.0001781	Pa×s	587.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroethyl caprate.

Sources

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

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