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

InChI

InChI=1S/C13H18Cl2O2/c1-5-6-10(4)11(8-7-9(2)3)17-13(16)12(14)15/h10-12H,2,5-6H2,1,3-4H3

InChI Key

WQHIJAZVGMYLTQ-UHFFFAOYSA-N

Formula

C13H18Cl2O2

SMILES

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

Molecular Weight¹

277.19

• 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°	75.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.83	kJ/mol	Joback Calculated Property
ΔfusH°	30.57	kJ/mol	Joback Calculated Property
ΔvapH°	62.86	kJ/mol	Joback Calculated Property
log10WS	-4.56		Crippen Calculated Property
logPoct/wat	3.718		Crippen Calculated Property
McVol	213.050	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[1561.00; 1561.00]
Inp	1561.00		NIST
Inp	1561.00		NIST
Tboil	652.23	K	Joback Calculated Property
Tc	864.90	K	Joback Calculated Property
Tfus	413.65	K	Joback Calculated Property
Vc	0.811	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.35; 591.49]	J/mol×K	[652.23; 864.90]
Cp,gas	515.35	J/mol×K	652.23	Joback Calculated Property
Cp,gas	530.11	J/mol×K	687.68	Joback Calculated Property
Cp,gas	544.00	J/mol×K	723.12	Joback Calculated Property
Cp,gas	557.07	J/mol×K	758.57	Joback Calculated Property
Cp,gas	569.32	J/mol×K	794.01	Joback Calculated Property
Cp,gas	580.79	J/mol×K	829.46	Joback Calculated Property
Cp,gas	591.49	J/mol×K	864.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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