Chemical Properties of Diethylmalonic acid, 4-chloro-3-methylphenyl pentyl ester

InChI

InChI=1S/C19H27ClO4/c1-5-8-9-12-23-17(21)19(6-2,7-3)18(22)24-15-10-11-16(20)14(4)13-15/h10-11,13H,5-9,12H2,1-4H3

InChI Key

FFSFBMDTHHIZGV-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

354.87

• 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	0.8316		Relay (1.0) Calculated Property
ΔfG°	-274.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-845.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.59	kJ/mol	Joback Calculated Property
ΔvapH°	97.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.094		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Pc	1405.90	kPa	Joback Calculated Property
Inp	[2239.00; 2239.00]
Inp	2239.00		NIST
Inp	2239.00		NIST
Tboil	624.56	K	Relay (1.0) Calculated Property
Tc	848.52	K	Relay (1.0) Calculated Property
Tfus	324.29	K	Relay (1.0) Calculated Property
Vc	1.006	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[846.41; 919.23]	J/mol×K	[857.54; 1068.20]
Cp,gas	846.41	J/mol×K	857.54	Joback Calculated Property
Cp,gas	861.22	J/mol×K	892.65	Joback Calculated Property
Cp,gas	874.92	J/mol×K	927.76	Joback Calculated Property
Cp,gas	887.53	J/mol×K	962.87	Joback Calculated Property
Cp,gas	899.09	J/mol×K	997.98	Joback Calculated Property
Cp,gas	909.65	J/mol×K	1033.09	Joback Calculated Property
Cp,gas	919.23	J/mol×K	1068.20	Joback Calculated Property
η	[0.0000435; 0.0004205]	Pa×s	[532.01; 857.54]
η	0.0004205	Pa×s	532.01	Joback Calculated Property
η	0.0002419	Pa×s	586.26	Joback Calculated Property
η	0.0001528	Pa×s	640.52	Joback Calculated Property
η	0.0001037	Pa×s	694.77	Joback Calculated Property
η	0.0000745	Pa×s	749.03	Joback Calculated Property
η	0.0000559	Pa×s	803.28	Joback Calculated Property
η	0.0000435	Pa×s	857.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chloro-3-methylphenyl pentyl ester.

Sources

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

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