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

InChI

InChI=1S/C28H38Cl2O4/c1-4-7-8-9-10-11-12-13-16-19-33-26(31)28(5-2,6-3)27(32)34-25-22-18-15-14-17-21(22)23(29)20-24(25)30/h14-15,17-18,20H,4-13,16,19H2,1-3H3

InChI Key

ODTJGKPISYMQJS-UHFFFAOYSA-N

Formula

C28H38Cl2O4

SMILES

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

Molecular Weight¹

509.50

• 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	1.1536		Relay (1.0) Calculated Property
ΔfG°	-113.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-875.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.72	kJ/mol	Joback Calculated Property
ΔvapH°	140.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-8.31		Relay (1.0) Calculated Property
logPoct/wat	8.932		Crippen Calculated Property
McVol	401.520	ml/mol	McGowan Calculated Property
Pc	897.49	kPa	Joback Calculated Property
Inp	[3474.00; 3474.00]
Inp	3474.00		NIST
Inp	3474.00		NIST
Tboil	716.21	K	Relay (1.0) Calculated Property
Tc	995.07	K	Relay (1.0) Calculated Property
Tfus	359.42	K	Relay (1.0) Calculated Property
Vc	1.453	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1330.36; 1406.00]	J/mol×K	[1124.85; 1379.37]
Cp,gas	1330.36	J/mol×K	1124.85	Joback Calculated Property
Cp,gas	1345.30	J/mol×K	1167.27	Joback Calculated Property
Cp,gas	1359.11	J/mol×K	1209.69	Joback Calculated Property
Cp,gas	1371.94	J/mol×K	1252.11	Joback Calculated Property
Cp,gas	1383.94	J/mol×K	1294.53	Joback Calculated Property
Cp,gas	1395.24	J/mol×K	1336.95	Joback Calculated Property
Cp,gas	1406.00	J/mol×K	1379.37	Joback Calculated Property
η	[0.0000197; 0.0001470]	Pa×s	[708.58; 1124.85]
η	0.0001470	Pa×s	708.58	Joback Calculated Property
η	0.0000906	Pa×s	777.96	Joback Calculated Property
η	0.0000604	Pa×s	847.34	Joback Calculated Property
η	0.0000428	Pa×s	916.71	Joback Calculated Property
η	0.0000319	Pa×s	986.09	Joback Calculated Property
η	0.0000247	Pa×s	1055.47	Joback Calculated Property
η	0.0000197	Pa×s	1124.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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