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

InChI

InChI=1S/C24H30Cl2O4/c1-4-7-8-9-12-15-29-22(27)24(5-2,6-3)23(28)30-21-18-14-11-10-13-17(18)19(25)16-20(21)26/h10-11,13-14,16H,4-9,12,15H2,1-3H3

InChI Key

BSMWTQKPDPVFPU-UHFFFAOYSA-N

Formula

C24H30Cl2O4

SMILES

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

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	0.9940		Relay (1.0) Calculated Property
ΔfG°	-147.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-788.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.36	kJ/mol	Joback Calculated Property
ΔvapH°	125.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-7.15		Relay (1.0) Calculated Property
logPoct/wat	7.372		Crippen Calculated Property
McVol	345.160	ml/mol	McGowan Calculated Property
Pc	1145.99	kPa	Joback Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	688.11	K	Relay (1.0) Calculated Property
Tc	970.38	K	Relay (1.0) Calculated Property
Tfus	358.72	K	Relay (1.0) Calculated Property
Vc	1.235	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1084.42; 1151.02]	J/mol×K	[1033.33; 1267.47]
Cp,gas	1084.42	J/mol×K	1033.33	Joback Calculated Property
Cp,gas	1097.77	J/mol×K	1072.35	Joback Calculated Property
Cp,gas	1110.10	J/mol×K	1111.38	Joback Calculated Property
Cp,gas	1121.49	J/mol×K	1150.40	Joback Calculated Property
Cp,gas	1132.04	J/mol×K	1189.42	Joback Calculated Property
Cp,gas	1141.85	J/mol×K	1228.45	Joback Calculated Property
Cp,gas	1151.02	J/mol×K	1267.47	Joback Calculated Property
η	[0.0000365; 0.0002378]	Pa×s	[663.50; 1033.33]
η	0.0002378	Pa×s	663.50	Joback Calculated Property
η	0.0001524	Pa×s	725.14	Joback Calculated Property
η	0.0001047	Pa×s	786.78	Joback Calculated Property
η	0.0000760	Pa×s	848.41	Joback Calculated Property
η	0.0000576	Pa×s	910.05	Joback Calculated Property
η	0.0000452	Pa×s	971.69	Joback Calculated Property
η	0.0000365	Pa×s	1033.33	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.