Chemical Properties of Diethylmalonic acid, 2,4-dichloronaphth-1-yl hexyl ester

InChI

InChI=1S/C23H28Cl2O4/c1-4-7-8-11-14-28-21(26)23(5-2,6-3)22(27)29-20-17-13-10-9-12-16(17)18(24)15-19(20)25/h9-10,12-13,15H,4-8,11,14H2,1-3H3

InChI Key

KQBAYSSCGMGPQJ-UHFFFAOYSA-N

Formula

C23H28Cl2O4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

439.37

• 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	0.9542		Relay (1.0) Calculated Property
ΔfG°	-155.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.77	kJ/mol	Joback Calculated Property
ΔvapH°	122.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-6.83		Relay (1.0) Calculated Property
logPoct/wat	6.982		Crippen Calculated Property
McVol	331.070	ml/mol	McGowan Calculated Property
Pc	1224.27	kPa	Joback Calculated Property
Inp	[2993.00; 2993.00]
Inp	2993.00		NIST
Inp	2993.00		NIST
Tboil	680.63	K	Relay (1.0) Calculated Property
Tc	964.15	K	Relay (1.0) Calculated Property
Tfus	357.47	K	Relay (1.0) Calculated Property
Vc	1.181	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.26; 1089.19]	J/mol×K	[1010.45; 1242.21]
Cp,gas	1024.26	J/mol×K	1010.45	Joback Calculated Property
Cp,gas	1037.32	J/mol×K	1049.08	Joback Calculated Property
Cp,gas	1049.36	J/mol×K	1087.70	Joback Calculated Property
Cp,gas	1060.48	J/mol×K	1126.33	Joback Calculated Property
Cp,gas	1070.77	J/mol×K	1164.96	Joback Calculated Property
Cp,gas	1080.31	J/mol×K	1203.58	Joback Calculated Property
Cp,gas	1089.19	J/mol×K	1242.21	Joback Calculated Property
η	[0.0000425; 0.0002664]	Pa×s	[652.23; 1010.45]
η	0.0002664	Pa×s	652.23	Joback Calculated Property
η	0.0001725	Pa×s	711.93	Joback Calculated Property
η	0.0001195	Pa×s	771.64	Joback Calculated Property
η	0.0000873	Pa×s	831.34	Joback Calculated Property
η	0.0000665	Pa×s	891.04	Joback Calculated Property
η	0.0000524	Pa×s	950.75	Joback Calculated Property
η	0.0000425	Pa×s	1010.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloronaphth-1-yl hexyl ester.

Sources

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

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