Chemical Properties of Acetic acid, trichloro-, octyl ester (CAS 16958-78-4)

InChI

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

InChI Key

GNKXBEJZRKOBKI-UHFFFAOYSA-N

Formula

C10H17Cl3O2

SMILES

CCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

275.60

CAS

16958-78-4

Other Names

• Trichloroacetic acid, octyl ester
• Octyl trichloroacetate

• 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	[1535.00; 1578.00]
Inp	1549.00		NIST
Inp	1557.00		NIST
Inp	1562.00		NIST
Inp	1564.00		NIST
Inp	Outlier 1535.00		NIST
Inp	1558.00		NIST
Inp	1578.00		NIST
Inp	1563.80		NIST
Inp	1571.00		NIST
Inp	1557.00		NIST
I	[1922.00; 1949.00]
I	1922.00		NIST
I	1934.00		NIST
I	1949.00		NIST
I	1947.00		NIST
I	1947.00		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 Acetic acid, trichloro-, octyl ester.

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.