Chemical Properties of Succinic acid, but-3-yn-2-yl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C14H11Cl3O4/c1-3-8(2)20-13(18)4-5-14(19)21-12-7-10(16)9(15)6-11(12)17/h1,6-8H,4-5H2,2H3

InChI Key

ZIEOGYZCTHAYCU-UHFFFAOYSA-N

Formula

C14H11Cl3O4

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

349.59

• 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	0.7017		Relay (1.0) Calculated Property
ΔfG°	-132.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-531.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.51	kJ/mol	Joback Calculated Property
ΔvapH°	98.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	3.897		Crippen Calculated Property
McVol	227.360	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[2211.00; 2211.00]
Inp	2211.00		NIST
Inp	2211.00		NIST
Tboil	606.34	K	Relay (1.0) Calculated Property
Tc	858.25	K	Relay (1.0) Calculated Property
Tfus	361.52	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[557.12; 603.55]	J/mol×K	[815.89; 1047.54]
Cp,gas	557.12	J/mol×K	815.89	Joback Calculated Property
Cp,gas	567.13	J/mol×K	854.50	Joback Calculated Property
Cp,gas	576.22	J/mol×K	893.11	Joback Calculated Property
Cp,gas	584.40	J/mol×K	931.72	Joback Calculated Property
Cp,gas	591.68	J/mol×K	970.33	Joback Calculated Property
Cp,gas	598.06	J/mol×K	1008.94	Joback Calculated Property
Cp,gas	603.55	J/mol×K	1047.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 2,4,5-trichlorophenyl ester.

Sources

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

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