Chemical Properties of Glutaric acid, 2,4-dichloronaphthyl hexyl ester

InChI

InChI=1S/C21H24Cl2O4/c1-2-3-4-7-13-26-19(24)11-8-12-20(25)27-21-16-10-6-5-9-15(16)17(22)14-18(21)23/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3

InChI Key

NDORMXGKKWXWQL-UHFFFAOYSA-N

Formula

C21H24Cl2O4

SMILES

CCCCCCOC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

411.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.0072		Relay (1.0) Calculated Property
ΔfG°	-175.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-746.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.01	kJ/mol	Joback Calculated Property
ΔvapH°	117.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-6.41		Relay (1.0) Calculated Property
logPoct/wat	6.346		Crippen Calculated Property
McVol	302.890	ml/mol	McGowan Calculated Property
Pc	1387.11	kPa	Joback Calculated Property
Inp	[3122.00; 3122.00]
Inp	3122.00		NIST
Inp	3122.00		NIST
Tboil	685.39	K	Relay (1.0) Calculated Property
Tc	948.98	K	Relay (1.0) Calculated Property
Tfus	339.02	K	Relay (1.0) Calculated Property
Vc	1.110	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[905.28; 964.13]	J/mol×K	[967.92; 1193.03]
Cp,gas	905.28	J/mol×K	967.92	Joback Calculated Property
Cp,gas	917.61	J/mol×K	1005.44	Joback Calculated Property
Cp,gas	928.86	J/mol×K	1042.96	Joback Calculated Property
Cp,gas	939.08	J/mol×K	1080.47	Joback Calculated Property
Cp,gas	948.34	J/mol×K	1117.99	Joback Calculated Property
Cp,gas	956.67	J/mol×K	1155.51	Joback Calculated Property
Cp,gas	964.13	J/mol×K	1193.03	Joback Calculated Property
η	[0.0000751; 0.0003928]	Pa×s	[627.27; 967.92]
η	0.0003928	Pa×s	627.27	Joback Calculated Property
η	0.0002659	Pa×s	684.04	Joback Calculated Property
η	0.0001911	Pa×s	740.82	Joback Calculated Property
η	0.0001439	Pa×s	797.60	Joback Calculated Property
η	0.0001126	Pa×s	854.37	Joback Calculated Property
η	0.0000908	Pa×s	911.14	Joback Calculated Property
η	0.0000751	Pa×s	967.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4-dichloronaphthyl hexyl ester.

Sources

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

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