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

InChI

InChI=1S/C21H20Cl2O4/c1-3-8-14(4-2)26-19(24)11-7-12-20(25)27-21-16-10-6-5-9-15(16)17(22)13-18(21)23/h5-6,9-10,13-14H,4,7,11-12H2,1-2H3

InChI Key

IIYMHMDRLUHDOB-UHFFFAOYSA-N

Formula

C21H20Cl2O4

SMILES

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

Molecular Weight¹

407.29

• 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°	24.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.64	kJ/mol	Joback Calculated Property
ΔfusH°	53.61	kJ/mol	Joback Calculated Property
ΔvapH°	97.09	kJ/mol	Joback Calculated Property
log10WS	-7.50		Crippen Calculated Property
logPoct/wat	5.567		Crippen Calculated Property
McVol	294.290	ml/mol	McGowan Calculated Property
Pc	1578.46	kPa	Joback Calculated Property
Inp	[3009.00; 3009.00]
Inp	3009.00		NIST
Inp	3009.00		NIST
Tboil	976.48	K	Joback Calculated Property
Tc	1215.23	K	Joback Calculated Property
Tfus	718.37	K	Joback Calculated Property
Vc	1.127	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.34; 901.92]	J/mol×K	[976.48; 1215.23]
Cp,gas	848.34	J/mol×K	976.48	Joback Calculated Property
Cp,gas	859.89	J/mol×K	1016.27	Joback Calculated Property
Cp,gas	870.32	J/mol×K	1056.06	Joback Calculated Property
Cp,gas	879.68	J/mol×K	1095.85	Joback Calculated Property
Cp,gas	888.04	J/mol×K	1135.65	Joback Calculated Property
Cp,gas	895.43	J/mol×K	1175.44	Joback Calculated Property
Cp,gas	901.92	J/mol×K	1215.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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