Chemical Properties of Trichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C13H17Cl3O2/c1-5-6-10(4)11(8-7-9(2)3)18-12(17)13(14,15)16/h10-11H,2,5-6H2,1,3-4H3

InChI Key

QUQXVSNIXBWVAX-UHFFFAOYSA-N

Formula

C13H17Cl3O2

SMILES

C=C(C)C#CC(OC(=O)C(Cl)(Cl)Cl)C(C)CCC

Molecular Weight¹

311.63

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	68.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-235.04	kJ/mol	Joback Calculated Property
ΔfusH°	30.88	kJ/mol	Joback Calculated Property
ΔvapH°	66.33	kJ/mol	Joback Calculated Property
log10WS	-5.21		Crippen Calculated Property
logPoct/wat	4.284		Crippen Calculated Property
McVol	225.290	ml/mol	McGowan Calculated Property
Pc	1908.57	kPa	Joback Calculated Property
Inp	[1621.00; 1621.00]
Inp	1621.00		NIST
Inp	1621.00		NIST
Tboil	686.87	K	Joback Calculated Property
Tc	910.36	K	Joback Calculated Property
Tfus	460.99	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.12; 614.37]	J/mol×K	[686.87; 910.36]
Cp,gas	544.12	J/mol×K	686.87	Joback Calculated Property
Cp,gas	558.03	J/mol×K	724.12	Joback Calculated Property
Cp,gas	570.99	J/mol×K	761.37	Joback Calculated Property
Cp,gas	583.05	J/mol×K	798.61	Joback Calculated Property
Cp,gas	594.27	J/mol×K	835.86	Joback Calculated Property
Cp,gas	604.69	J/mol×K	873.11	Joback Calculated Property
Cp,gas	614.37	J/mol×K	910.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

• 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.