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

InChI

InChI=1S/C17H20Cl2O5/c1-4-7-23-15(21)17(5-2,6-3)16(22)24-14-11(10-20)8-12(18)9-13(14)19/h8-10H,4-7H2,1-3H3

InChI Key

NMRCKKZDBLSAAF-UHFFFAOYSA-N

Formula

C17H20Cl2O5

SMILES

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

Molecular Weight¹

375.24

• 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	0.8247		Relay (1.0) Calculated Property
ΔfG°	-412.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-880.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.50	kJ/mol	Joback Calculated Property
ΔvapH°	96.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	4.471		Crippen Calculated Property
McVol	267.560	ml/mol	McGowan Calculated Property
Pc	1661.90	kPa	Joback Calculated Property
Inp	[2308.00; 2308.00]
Inp	2308.00		NIST
Inp	2308.00		NIST
Tboil	616.45	K	Relay (1.0) Calculated Property
Tc	885.18	K	Relay (1.0) Calculated Property
Tfus	325.45	K	Relay (1.0) Calculated Property
Vc	0.936	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[765.21; 817.32]	J/mol×K	[902.85; 1123.79]
Cp,gas	765.21	J/mol×K	902.85	Joback Calculated Property
Cp,gas	776.43	J/mol×K	939.67	Joback Calculated Property
Cp,gas	786.60	J/mol×K	976.50	Joback Calculated Property
Cp,gas	795.74	J/mol×K	1013.32	Joback Calculated Property
Cp,gas	803.89	J/mol×K	1050.14	Joback Calculated Property
Cp,gas	811.07	J/mol×K	1086.97	Joback Calculated Property
Cp,gas	817.32	J/mol×K	1123.79	Joback Calculated Property
η	[0.0000538; 0.0003606]	Pa×s	[593.91; 902.85]
η	0.0003606	Pa×s	593.91	Joback Calculated Property
η	0.0002314	Pa×s	645.40	Joback Calculated Property
η	0.0001585	Pa×s	696.89	Joback Calculated Property
η	0.0001144	Pa×s	748.38	Joback Calculated Property
η	0.0000861	Pa×s	799.87	Joback Calculated Property
η	0.0000671	Pa×s	851.36	Joback Calculated Property
η	0.0000538	Pa×s	902.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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