Chemical Properties of Acetic acid, 10-chlorodecyl ester (CAS 51309-11-6)

InChI

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

InChI Key

JFOKWOUOZKLRKE-UHFFFAOYSA-N

Formula

C12H23ClO2

SMILES

CC(=O)OCCCCCCCCCCCl

Molecular Weight¹

234.76

CAS

51309-11-6

Other Names

• 1-Decanol, 10-chloro, acetate
• 10-Chlorodecyl acetate
• 10-Chloro-1-decanol, acetate

• 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	0.7279		Relay (1.0) Calculated Property
ΔfG°	-272.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.40	kJ/mol	Joback Calculated Property
ΔvapH°	83.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
McVol	199.620	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[1651.00; 1701.00]
Inp	1701.00		NIST
Inp	1651.00		NIST
Inp	1658.00		NIST
Inp	1661.00		NIST
Inp	1664.00		NIST
Inp	1701.00		NIST
Inp	1696.40		NIST
I	[2185.00; 2215.00]
I	2185.00		NIST
I	2193.00		NIST
I	2210.00		NIST
I	2215.00		NIST
I	2185.00		NIST
Tboil	548.46	K	Relay (1.0) Calculated Property
Tc	736.46	K	Relay (1.0) Calculated Property
Tfus	277.49	K	Relay (1.0) Calculated Property
Vc	0.764	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.00; 571.99]	J/mol×K	[569.81; 741.89]
Cp,gas	490.00	J/mol×K	569.81	Joback Calculated Property
Cp,gas	505.29	J/mol×K	598.49	Joback Calculated Property
Cp,gas	519.92	J/mol×K	627.17	Joback Calculated Property
Cp,gas	533.89	J/mol×K	655.85	Joback Calculated Property
Cp,gas	547.22	J/mol×K	684.53	Joback Calculated Property
Cp,gas	559.91	J/mol×K	713.21	Joback Calculated Property
Cp,gas	571.99	J/mol×K	741.89	Joback Calculated Property
η	[0.0001633; 0.0040894]	Pa×s	[297.25; 569.81]
η	0.0040894	Pa×s	297.25	Joback Calculated Property
η	0.0016750	Pa×s	342.68	Joback Calculated Property
η	0.0008455	Pa×s	388.10	Joback Calculated Property
η	0.0004926	Pa×s	433.53	Joback Calculated Property
η	0.0003179	Pa×s	478.96	Joback Calculated Property
η	0.0002214	Pa×s	524.38	Joback Calculated Property
η	0.0001633	Pa×s	569.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 10-chlorodecyl ester.

Sources

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

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