Chemical Properties of Succinic acid, 2,2-dichloroethyl dodec-9-yn-1-yl ester

InChI

InChI=1S/C18H28Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-17(21)12-13-18(22)24-15-16(19)20/h16H,2,5-15H2,1H3

InChI Key

KFFMKJYVFSGHOQ-UHFFFAOYSA-N

Formula

C18H28Cl2O4

SMILES

CCC#CCCCCCCCCOC(=O)CCC(=O)OCC(Cl)Cl

Molecular Weight¹

379.32

• 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°	-190.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-668.91	kJ/mol	Joback Calculated Property
ΔfusH°	55.94	kJ/mol	Joback Calculated Property
ΔvapH°	84.51	kJ/mol	Joback Calculated Property
log10WS	-5.79		Crippen Calculated Property
logPoct/wat	4.801		Crippen Calculated Property
McVol	295.240	ml/mol	McGowan Calculated Property
Pc	1312.75	kPa	Joback Calculated Property
Inp	[2586.00; 2586.00]
Inp	2586.00		NIST
Inp	2586.00		NIST
Tboil	847.24	K	Joback Calculated Property
Tc	1047.79	K	Joback Calculated Property
Tfus	587.88	K	Joback Calculated Property
Vc	1.145	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[859.61; 933.31]	J/mol×K	[847.24; 1047.79]
Cp,gas	859.61	J/mol×K	847.24	Joback Calculated Property
Cp,gas	874.40	J/mol×K	880.66	Joback Calculated Property
Cp,gas	888.16	J/mol×K	914.09	Joback Calculated Property
Cp,gas	900.92	J/mol×K	947.51	Joback Calculated Property
Cp,gas	912.69	J/mol×K	980.94	Joback Calculated Property
Cp,gas	923.48	J/mol×K	1014.36	Joback Calculated Property
Cp,gas	933.31	J/mol×K	1047.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2-dichloroethyl dodec-9-yn-1-yl ester.

Sources

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

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