Chemical Properties of Diethylmalonic acid, 2,3-dichlorophenyl pentadecyl ester

InChI

InChI=1S/C28H44Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-26(31)28(5-2,6-3)27(32)34-24-21-19-20-23(29)25(24)30/h19-21H,4-18,22H2,1-3H3

InChI Key

ZTCIZKCRXJYSSP-UHFFFAOYSA-N

Formula

C28H44Cl2O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

515.55

• 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	1.2076		Relay (1.0) Calculated Property
ΔfG°	-210.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1031.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.09	kJ/mol	Joback Calculated Property
ΔvapH°	138.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-8.58		Relay (1.0) Calculated Property
logPoct/wat	9.340		Crippen Calculated Property
McVol	420.980	ml/mol	McGowan Calculated Property
Pc	785.51	kPa	Joback Calculated Property
Inp	[3340.00; 3340.00]
Inp	3340.00		NIST
Inp	3340.00		NIST
Tboil	693.08	K	Relay (1.0) Calculated Property
Tc	934.05	K	Relay (1.0) Calculated Property
Tfus	327.26	K	Relay (1.0) Calculated Property
Vc	1.541	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1417.56; 1490.83]	J/mol×K	[1100.89; 1355.25]
Cp,gas	1417.56	J/mol×K	1100.89	Joback Calculated Property
Cp,gas	1433.49	J/mol×K	1143.28	Joback Calculated Property
Cp,gas	1447.78	J/mol×K	1185.68	Joback Calculated Property
Cp,gas	1460.54	J/mol×K	1228.07	Joback Calculated Property
Cp,gas	1471.88	J/mol×K	1270.46	Joback Calculated Property
Cp,gas	1481.94	J/mol×K	1312.85	Joback Calculated Property
Cp,gas	1490.83	J/mol×K	1355.25	Joback Calculated Property
η	[0.0000087; 0.0001080]	Pa×s	[663.36; 1100.89]
η	0.0001080	Pa×s	663.36	Joback Calculated Property
η	0.0000577	Pa×s	736.28	Joback Calculated Property
η	0.0000345	Pa×s	809.20	Joback Calculated Property
η	0.0000225	Pa×s	882.12	Joback Calculated Property
η	0.0000156	Pa×s	955.05	Joback Calculated Property
η	0.0000115	Pa×s	1027.97	Joback Calculated Property
η	0.0000087	Pa×s	1100.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dichlorophenyl pentadecyl ester.

Sources

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

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