Chemical Properties of Glutaric acid, but-3-yn-2-yl 2,4-dichloro-1-naphthyl ester

InChI

InChI=1S/C19H16Cl2O4/c1-3-12(2)24-17(22)9-6-10-18(23)25-19-14-8-5-4-7-13(14)15(20)11-16(19)21/h1,4-5,7-8,11-12H,6,9-10H2,2H3

InChI Key

QYVFIPFHMQMQOJ-UHFFFAOYSA-N

Formula

C19H16Cl2O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

379.23

• 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	0.7949		Relay (... Calculated Property
ΔfG°	28.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.23	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.28	kJ/mol	Joback Calculated Property
ΔvapH°	112.72	kJ/mol	Relay (... Calculated Property
IE	8.34	eV	Relay (... Calculated Property
log10WS	-5.51		Relay (... Calculated Property
logPoct/wat	4.787		Crippen Calculated Property
McVol	266.110	ml/mol	McGowan Calculated Property
Pc	1830.98	kPa	Joback Calculated Property
Inp	[2763.00; 2763.00]
Inp	2763.00		NIST
Inp	2763.00		NIST
Tboil	676.58	K	Relay (... Calculated Property
Tc	943.28	K	Relay (... Calculated Property
Tfus	372.57	K	Relay (... Calculated Property
Vc	0.931	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[731.88; 785.25]	J/mol×K	[911.84; 1146.90]
Cp,gas	731.88	J/mol×K	911.84	Joback Calculated Property
Cp,gas	743.00	J/mol×K	951.02	Joback Calculated Property
Cp,gas	753.16	J/mol×K	990.19	Joback Calculated Property
Cp,gas	762.41	J/mol×K	1029.37	Joback Calculated Property
Cp,gas	770.81	J/mol×K	1068.54	Joback Calculated Property
Cp,gas	778.40	J/mol×K	1107.72	Joback Calculated Property
Cp,gas	785.25	J/mol×K	1146.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2,4-dichloro-1-naphthyl ester.

Sources

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

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