Chemical Properties of Succinic acid, 2,2-dichloroethyl non-5-yn-3-yl ester

InChI

InChI=1S/C15H22Cl2O4/c1-3-5-6-7-8-12(4-2)21-15(19)10-9-14(18)20-11-13(16)17/h12-13H,3-5,8-11H2,1-2H3

InChI Key

NSKMRDPOEKYEBA-UHFFFAOYSA-N

Formula

C15H22Cl2O4

SMILES

CCCC#CCC(CC)OC(=O)CCC(=O)OCC(Cl)Cl

Molecular Weight¹

337.24

• 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°	-218.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-612.27	kJ/mol	Joback Calculated Property
ΔfusH°	44.65	kJ/mol	Joback Calculated Property
ΔvapH°	77.44	kJ/mol	Joback Calculated Property
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	3.629		Crippen Calculated Property
McVol	252.970	ml/mol	McGowan Calculated Property
Pc	1647.09	kPa	Joback Calculated Property
Inp	[2131.00; 2131.00]
Inp	2131.00		NIST
Inp	2131.00		NIST
Tboil	778.16	K	Joback Calculated Property
Tc	981.40	K	Joback Calculated Property
Tfus	539.07	K	Joback Calculated Property
Vc	0.972	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.43; 759.89]	J/mol×K	[778.16; 981.40]
Cp,gas	689.43	J/mol×K	778.16	Joback Calculated Property
Cp,gas	703.45	J/mol×K	812.03	Joback Calculated Property
Cp,gas	716.54	J/mol×K	845.91	Joback Calculated Property
Cp,gas	728.73	J/mol×K	879.78	Joback Calculated Property
Cp,gas	740.01	J/mol×K	913.66	Joback Calculated Property
Cp,gas	750.39	J/mol×K	947.53	Joback Calculated Property
Cp,gas	759.89	J/mol×K	981.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl non-5-yn-3-yl ester.

Sources

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

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