Chemical Properties of Diethylmalonic acid, butyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H30O5/c1-6-9-14-23-18(21)20(7-2,8-3)19(22)25-17-13-11-10-12-16(17)24-15(4)5/h10-13,15H,6-9,14H2,1-5H3

InChI Key

GAUYBNIAYCWWOG-UHFFFAOYSA-N

Formula

C20H30O5

SMILES

CCCCOC(=O)C(CC)(CC)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	0.8550		Relay (1.0) Calculated Property
ΔfG°	-352.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-956.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.03	kJ/mol	Joback Calculated Property
ΔvapH°	95.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-4.07		Relay (1.0) Calculated Property
logPoct/wat	4.529		Crippen Calculated Property
McVol	289.650	ml/mol	McGowan Calculated Property
Pc	1351.64	kPa	Joback Calculated Property
Inp	[2155.00; 2155.00]
Inp	2155.00		NIST
Inp	2155.00		NIST
Tboil	609.56	K	Relay (1.0) Calculated Property
Tc	825.02	K	Relay (1.0) Calculated Property
Tfus	304.94	K	Relay (1.0) Calculated Property
Vc	1.054	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.47; 985.60]	J/mol×K	[859.99; 1067.72]
Cp,gas	908.47	J/mol×K	859.99	Joback Calculated Property
Cp,gas	924.35	J/mol×K	894.61	Joback Calculated Property
Cp,gas	938.98	J/mol×K	929.23	Joback Calculated Property
Cp,gas	952.39	J/mol×K	963.86	Joback Calculated Property
Cp,gas	964.61	J/mol×K	998.48	Joback Calculated Property
Cp,gas	975.68	J/mol×K	1033.10	Joback Calculated Property
Cp,gas	985.60	J/mol×K	1067.72	Joback Calculated Property
η	[0.0000296; 0.0004263]	Pa×s	[508.07; 859.99]
η	0.0004263	Pa×s	508.07	Joback Calculated Property
η	0.0002171	Pa×s	566.72	Joback Calculated Property
η	0.0001255	Pa×s	625.38	Joback Calculated Property
η	0.0000797	Pa×s	684.03	Joback Calculated Property
η	0.0000543	Pa×s	742.68	Joback Calculated Property
η	0.0000392	Pa×s	801.34	Joback Calculated Property
η	0.0000296	Pa×s	859.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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