Chemical Properties of Succinic acid, but-3-yn-2-yl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C10H11Cl3O4/c1-3-7(2)17-9(15)5-4-8(14)16-6-10(11,12)13/h1,7H,4-6H2,2H3

InChI Key

JORUEHRSAZFKGR-UHFFFAOYSA-N

Formula

C10H11Cl3O4

SMILES

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

Molecular Weight¹

301.55

• ω : Acentric Factor.
• 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).
• 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.
• 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	0.5424		Relay (... Calculated Property
ΔfG°	-246.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.19	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.86	kJ/mol	Joback Calculated Property
ΔvapH°	77.21	kJ/mol	Relay (... Calculated Property
IE	10.52	eV	Relay (... Calculated Property
log10WS	-3.44		Relay (... Calculated Property
logPoct/wat	2.245		Crippen Calculated Property
McVol	194.760	ml/mol	McGowan Calculated Property
Pc	2445.89	kPa	Joback Calculated Property
Inp	[1680.00; 1680.00]
Inp	1680.00		NIST
Inp	1680.00		NIST
Tboil	548.85	K	Relay (... Calculated Property
Tc	746.66	K	Relay (... Calculated Property
Tfus	360.69	K	Relay (... Calculated Property
Vc	0.675	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[452.35; 503.24]	J/mol×K	[679.52; 896.64]
Cp,gas	452.35	J/mol×K	679.52	Joback Calculated Property
Cp,gas	462.61	J/mol×K	715.71	Joback Calculated Property
Cp,gas	472.12	J/mol×K	751.89	Joback Calculated Property
Cp,gas	480.91	J/mol×K	788.08	Joback Calculated Property
Cp,gas	489.01	J/mol×K	824.26	Joback Calculated Property
Cp,gas	496.44	J/mol×K	860.45	Joback Calculated Property
Cp,gas	503.24	J/mol×K	896.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 2,2,2-trichloroethyl ester.

Sources

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

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