Chemical Properties of Diethylmalonic acid, monochloride, 1-phenylpropyl ester

InChI

InChI=1S/C16H21ClO3/c1-4-13(12-10-8-7-9-11-12)20-15(19)16(5-2,6-3)14(17)18/h7-11,13H,4-6H2,1-3H3

InChI Key

ZXWZQVWUEBQBKK-UHFFFAOYSA-N

Formula

C16H21ClO3

SMILES

CCC(OC(=O)C(CC)(CC)C(=O)Cl)c1ccccc1

Molecular Weight¹

296.79

• 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	0.6030		Relay (1.0) Calculated Property
ΔfG°	-178.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-574.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.88	kJ/mol	Joback Calculated Property
ΔvapH°	81.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	4.253		Crippen Calculated Property
McVol	233.790	ml/mol	McGowan Calculated Property
Pc	1851.52	kPa	Joback Calculated Property
Inp	[1813.00; 1813.00]
Inp	1813.00		NIST
Inp	1813.00		NIST
Tboil	572.89	K	Relay (1.0) Calculated Property
Tc	804.15	K	Relay (1.0) Calculated Property
Tfus	330.85	K	Relay (1.0) Calculated Property
Vc	0.807	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.55; 726.40]	J/mol×K	[756.08; 974.23]
Cp,gas	651.55	J/mol×K	756.08	Joback Calculated Property
Cp,gas	666.60	J/mol×K	792.44	Joback Calculated Property
Cp,gas	680.54	J/mol×K	828.80	Joback Calculated Property
Cp,gas	693.42	J/mol×K	865.15	Joback Calculated Property
Cp,gas	705.32	J/mol×K	901.51	Joback Calculated Property
Cp,gas	716.29	J/mol×K	937.87	Joback Calculated Property
Cp,gas	726.40	J/mol×K	974.23	Joback Calculated Property
η	[0.0000817; 0.0013863]	Pa×s	[435.93; 756.08]
η	0.0013863	Pa×s	435.93	Joback Calculated Property
η	0.0006687	Pa×s	489.29	Joback Calculated Property
η	0.0003723	Pa×s	542.65	Joback Calculated Property
η	0.0002301	Pa×s	596.01	Joback Calculated Property
η	0.0001540	Pa×s	649.36	Joback Calculated Property
η	0.0001095	Pa×s	702.72	Joback Calculated Property
η	0.0000817	Pa×s	756.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 1-phenylpropyl ester.

Sources

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

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