Chemical Properties of Diethylmalonic acid, 2,4-dichloro-6-formylphenyl heptyl ester

InChI

InChI=1S/C21H28Cl2O5/c1-4-7-8-9-10-11-27-19(25)21(5-2,6-3)20(26)28-18-15(14-24)12-16(22)13-17(18)23/h12-14H,4-11H2,1-3H3

InChI Key

HCHSNWRZMJCMDW-UHFFFAOYSA-N

Formula

C21H28Cl2O5

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

431.35

• 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	0.9847		Relay (1.0) Calculated Property
ΔfG°	-378.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-964.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.86	kJ/mol	Joback Calculated Property
ΔvapH°	110.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	6.031		Crippen Calculated Property
McVol	323.920	ml/mol	McGowan Calculated Property
Pc	1242.46	kPa	Joback Calculated Property
Inp	[2684.00; 2684.00]
Inp	2684.00		NIST
Inp	2684.00		NIST
Tboil	643.96	K	Relay (1.0) Calculated Property
Tc	917.56	K	Relay (1.0) Calculated Property
Tfus	319.72	K	Relay (1.0) Calculated Property
Vc	1.152	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[997.03; 1051.95]	J/mol×K	[994.37; 1219.80]
Cp,gas	997.03	J/mol×K	994.37	Joback Calculated Property
Cp,gas	1009.07	J/mol×K	1031.94	Joback Calculated Property
Cp,gas	1019.90	J/mol×K	1069.51	Joback Calculated Property
Cp,gas	1029.55	J/mol×K	1107.09	Joback Calculated Property
Cp,gas	1038.07	J/mol×K	1144.66	Joback Calculated Property
Cp,gas	1045.52	J/mol×K	1182.23	Joback Calculated Property
Cp,gas	1051.95	J/mol×K	1219.80	Joback Calculated Property
η	[0.0000291; 0.0002277]	Pa×s	[638.99; 994.37]
η	0.0002277	Pa×s	638.99	Joback Calculated Property
η	0.0001397	Pa×s	698.22	Joback Calculated Property
η	0.0000925	Pa×s	757.45	Joback Calculated Property
η	0.0000651	Pa×s	816.68	Joback Calculated Property
η	0.0000480	Pa×s	875.91	Joback Calculated Property
η	0.0000368	Pa×s	935.14	Joback Calculated Property
η	0.0000291	Pa×s	994.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl heptyl ester.

Sources

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

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