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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.5865		Relay (1.0) Calculated Property
ΔfH°gas	-578.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.20	kJ/mol	Joback Calculated Property
ΔvapH°	68.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.32	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	4.260		Crippen Calculated Property
McVol	195.920	ml/mol	McGowan Calculated Property
Pc	1949.23	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	529.62	K	Relay (1.0) Calculated Property
Tc	726.20	K	Relay (1.0) Calculated Property
Tfus	250.17	K	Relay (1.0) Calculated Property
Vc	0.731	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[453.95; 521.74]	J/mol×K	[595.68; 789.60]
Cp,gas	453.95	J/mol×K	595.68	Joback Calculated Property
Cp,gas	467.12	J/mol×K	628.00	Joback Calculated Property
Cp,gas	479.49	J/mol×K	660.32	Joback Calculated Property
Cp,gas	491.12	J/mol×K	692.64	Joback Calculated Property
Cp,gas	502.01	J/mol×K	724.96	Joback Calculated Property
Cp,gas	512.21	J/mol×K	757.28	Joback Calculated Property
Cp,gas	521.74	J/mol×K	789.60	Joback Calculated Property
η	[0.0001548; 0.0033971]	Pa×s	[336.97; 595.68]
η	0.0033971	Pa×s	336.97	Joback Calculated Property
η	0.0015162	Pa×s	380.09	Joback Calculated Property
η	0.0007976	Pa×s	423.21	Joback Calculated Property
η	0.0004725	Pa×s	466.33	Joback Calculated Property
η	0.0003059	Pa×s	509.44	Joback Calculated Property
η	0.0002119	Pa×s	552.56	Joback Calculated Property
η	0.0001548	Pa×s	595.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, trichloro-, octyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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