Chemical Properties of Diethylmalonic acid, isobutyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H30O5/c1-7-20(8-2,18(21)23-13-14(3)4)19(22)25-17-12-10-9-11-16(17)24-15(5)6/h9-12,14-15H,7-8,13H2,1-6H3

InChI Key

QASONLRWBYCTRL-UHFFFAOYSA-N

Formula

C20H30O5

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

350.45

• 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	0.8229		Relay (1.0) Calculated Property
ΔfG°	-354.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-979.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.51	kJ/mol	Joback Calculated Property
ΔvapH°	92.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	4.385		Crippen Calculated Property
McVol	289.650	ml/mol	McGowan Calculated Property
Pc	1359.63	kPa	Joback Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		NIST
Tboil	607.91	K	Relay (1.0) Calculated Property
Tc	821.81	K	Relay (1.0) Calculated Property
Tfus	330.15	K	Relay (1.0) Calculated Property
Vc	1.053	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.98; 986.41]	J/mol×K	[859.55; 1069.31]
Cp,gas	908.98	J/mol×K	859.55	Joback Calculated Property
Cp,gas	925.00	J/mol×K	894.51	Joback Calculated Property
Cp,gas	939.73	J/mol×K	929.47	Joback Calculated Property
Cp,gas	953.21	J/mol×K	964.43	Joback Calculated Property
Cp,gas	965.46	J/mol×K	999.39	Joback Calculated Property
Cp,gas	976.52	J/mol×K	1034.35	Joback Calculated Property
Cp,gas	986.41	J/mol×K	1069.31	Joback Calculated Property
η	[0.0000271; 0.0004909]	Pa×s	[493.07; 859.55]
η	0.0004909	Pa×s	493.07	Joback Calculated Property
η	0.0002321	Pa×s	554.15	Joback Calculated Property
η	0.0001273	Pa×s	615.23	Joback Calculated Property
η	0.0000779	Pa×s	676.31	Joback Calculated Property
η	0.0000517	Pa×s	737.39	Joback Calculated Property
η	0.0000365	Pa×s	798.47	Joback Calculated Property
η	0.0000271	Pa×s	859.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 2-isopropoxyphenyl ester.

Sources

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

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