Chemical Properties of Diethylmalonic acid, 2,4-dichloronaphth-1-yl 2-methylhex-3-yl ester

InChI

InChI=1S/C24H30Cl2O4/c1-6-11-20(15(4)5)29-22(27)24(7-2,8-3)23(28)30-21-17-13-10-9-12-16(17)18(25)14-19(21)26/h9-10,12-15,20H,6-8,11H2,1-5H3

InChI Key

ICMQCEBOUMLQAL-UHFFFAOYSA-N

Formula

C24H30Cl2O4

SMILES

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

Molecular Weight¹

453.40

• 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	0.8994		Relay (1.0) Calculated Property
ΔfG°	-152.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-807.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.32	kJ/mol	Joback Calculated Property
ΔvapH°	122.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	7.226		Crippen Calculated Property
McVol	345.160	ml/mol	McGowan Calculated Property
Pc	1158.50	kPa	Joback Calculated Property
Inp	[2914.00; 2914.00]
Inp	2914.00		NIST
Inp	2914.00		NIST
Tboil	683.29	K	Relay (1.0) Calculated Property
Tc	965.69	K	Relay (1.0) Calculated Property
Tfus	364.02	K	Relay (1.0) Calculated Property
Vc	1.217	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1085.04; 1150.57]	J/mol×K	[1032.45; 1268.50]
Cp,gas	1085.04	J/mol×K	1032.45	Joback Calculated Property
Cp,gas	1098.33	J/mol×K	1071.79	Joback Calculated Property
Cp,gas	1110.54	J/mol×K	1111.13	Joback Calculated Property
Cp,gas	1121.77	J/mol×K	1150.48	Joback Calculated Property
Cp,gas	1132.12	J/mol×K	1189.82	Joback Calculated Property
Cp,gas	1141.69	J/mol×K	1229.16	Joback Calculated Property
Cp,gas	1150.57	J/mol×K	1268.50	Joback Calculated Property
η	[0.0000302; 0.0002626]	Pa×s	[633.50; 1032.45]
η	0.0002626	Pa×s	633.50	Joback Calculated Property
η	0.0001542	Pa×s	699.99	Joback Calculated Property
η	0.0000994	Pa×s	766.48	Joback Calculated Property
η	0.0000687	Pa×s	832.98	Joback Calculated Property
η	0.0000501	Pa×s	899.47	Joback Calculated Property
η	0.0000382	Pa×s	965.96	Joback Calculated Property
η	0.0000302	Pa×s	1032.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloronaphth-1-yl 2-methylhex-3-yl ester.

Sources

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

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