Chemical Properties of Acetic acid, 8-chlorooctyl ester (CAS 21727-90-2)

InChI

InChI=1S/C10H19ClO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h2-9H2,1H3

InChI Key

GMADNPIAEYOEIL-UHFFFAOYSA-N

Formula

C10H19ClO2

SMILES

CC(=O)OCCCCCCCCCl

Molecular Weight¹

206.71

CAS

21727-90-2

Other Names

• 1-Octanol, 8-chloro, acetate
• 8-Chloro-1-octanol, 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	0.6561		Relay (1.0) Calculated Property
ΔfG°	-288.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-604.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.22	kJ/mol	Joback Calculated Property
ΔvapH°	73.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	3.129		Crippen Calculated Property
McVol	171.440	ml/mol	McGowan Calculated Property
Pc	2047.46	kPa	Joback Calculated Property
Inp	[1425.00; 1499.00]
Inp	1435.00		NIST
Inp	1452.00		NIST
Inp	1435.00		NIST
Inp	1425.00		NIST
Inp	1451.00		NIST
Inp	1456.00		NIST
Inp	1458.00		NIST
Inp	1459.00		NIST
Inp	Outlier 1499.00		NIST
Inp	1492.00		NIST
Inp	1435.00		NIST
Inp	1456.00		NIST
I	[1987.00; 2006.00]
I	1987.00		NIST
I	1994.00		NIST
I	2006.00		NIST
Tboil	523.95	K	Relay (1.0) Calculated Property
Tc	710.45	K	Relay (1.0) Calculated Property
Tfus	260.58	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[392.90; 467.66]	J/mol×K	[524.05; 698.80]
Cp,gas	392.90	J/mol×K	524.05	Joback Calculated Property
Cp,gas	406.80	J/mol×K	553.17	Joback Calculated Property
Cp,gas	420.12	J/mol×K	582.30	Joback Calculated Property
Cp,gas	432.85	J/mol×K	611.42	Joback Calculated Property
Cp,gas	445.01	J/mol×K	640.55	Joback Calculated Property
Cp,gas	456.62	J/mol×K	669.67	Joback Calculated Property
Cp,gas	467.66	J/mol×K	698.80	Joback Calculated Property
η	[0.0002031; 0.0046930]	Pa×s	[274.71; 524.05]
η	0.0046930	Pa×s	274.71	Joback Calculated Property
η	0.0019716	Pa×s	316.27	Joback Calculated Property
η	0.0010131	Pa×s	357.82	Joback Calculated Property
η	0.0005980	Pa×s	399.38	Joback Calculated Property
η	0.0003898	Pa×s	440.94	Joback Calculated Property
η	0.0002736	Pa×s	482.49	Joback Calculated Property
η	0.0002031	Pa×s	524.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 8-chlorooctyl ester.

Sources

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

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