Chemical Properties of 2,2,2-Trichloroethyl octanoate

InChI

InChI=1S/C10H17Cl3O2/c1-2-3-4-5-6-7-9(14)15-8-10(11,12)13/h2-8H2,1H3

InChI Key

HSGDHOUWEKLJIE-UHFFFAOYSA-N

Formula

C10H17Cl3O2

SMILES

CCCCCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

275.60

Other Names

• Octanoic acid, 2,2,2-trichloroethyl ester

• 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).
• 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
ΔfG°	-233.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.50	kJ/mol	Joback Calculated Property
ΔfusH°	29.62	kJ/mol	Joback Calculated Property
ΔvapH°	58.87	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	4.260		Crippen Calculated Property
McVol	195.920	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[1561.00; 1579.00]
Inp	1578.00		NIST
Inp	1577.00		NIST
Inp	1578.00		NIST
Inp	1574.00		NIST
Inp	1577.00		NIST
Inp	1561.00		NIST
Inp	1579.00		NIST
Inp	1579.00		NIST
Inp	1578.00		NIST
Inp	1561.00		NIST
I	[1928.00; 1997.00]
I	1928.00		NIST
I	1948.00		NIST
I	1938.00		NIST
I	1966.00		NIST
I	1956.00		NIST
I	Outlier 1997.00		NIST
I	1940.00		NIST
I	1940.00		NIST
Tboil	613.55	K	Joback Calculated Property
Tc	809.74	K	Joback Calculated Property
Tfus	366.80	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.10; 524.77]	J/mol×K	[613.55; 809.74]
Cp,gas	458.10	J/mol×K	613.55	Joback Calculated Property
Cp,gas	470.97	J/mol×K	646.25	Joback Calculated Property
Cp,gas	483.09	J/mol×K	678.95	Joback Calculated Property
Cp,gas	494.50	J/mol×K	711.65	Joback Calculated Property
Cp,gas	505.23	J/mol×K	744.35	Joback Calculated Property
Cp,gas	515.31	J/mol×K	777.04	Joback Calculated Property
Cp,gas	524.77	J/mol×K	809.74	Joback Calculated Property
η	[0.0001674; 0.0022618]	Pa×s	[366.80; 613.55]
η	0.0022618	Pa×s	366.80	Joback Calculated Property
η	0.0011775	Pa×s	407.93	Joback Calculated Property
η	0.0006909	Pa×s	449.05	Joback Calculated Property
η	0.0004433	Pa×s	490.17	Joback Calculated Property
η	0.0003047	Pa×s	531.30	Joback Calculated Property
η	0.0002210	Pa×s	572.42	Joback Calculated Property
η	0.0001674	Pa×s	613.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2-Trichloroethyl octanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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