Chemical Properties of Diethylmalonic acid, decyl 3-methylbutyl ester

InChI

InChI=1S/C22H42O4/c1-6-9-10-11-12-13-14-15-17-25-20(23)22(7-2,8-3)21(24)26-18-16-19(4)5/h19H,6-18H2,1-5H3

InChI Key

SZUNBFLWEXGRGF-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCC(C)C

Molecular Weight¹

370.57

• 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	0.9663		Relay (1.0) Calculated Property
ΔfG°	-333.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1100.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.37	kJ/mol	Joback Calculated Property
ΔvapH°	98.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	6.066		Crippen Calculated Property
McVol	335.720	ml/mol	McGowan Calculated Property
Pc	969.88	kPa	Joback Calculated Property
Inp	[2214.00; 2214.00]
Inp	2214.00		NIST
Inp	2214.00		NIST
Tboil	610.20	K	Relay (1.0) Calculated Property
Tc	793.68	K	Relay (1.0) Calculated Property
Tfus	267.35	K	Relay (1.0) Calculated Property
Vc	1.250	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.02; 1190.22]	J/mol×K	[851.67; 1044.13]
Cp,gas	1093.02	J/mol×K	851.67	Joback Calculated Property
Cp,gas	1112.04	J/mol×K	883.75	Joback Calculated Property
Cp,gas	1129.88	J/mol×K	915.82	Joback Calculated Property
Cp,gas	1146.58	J/mol×K	947.90	Joback Calculated Property
Cp,gas	1162.18	J/mol×K	979.97	Joback Calculated Property
Cp,gas	1176.71	J/mol×K	1012.05	Joback Calculated Property
Cp,gas	1190.22	J/mol×K	1044.13	Joback Calculated Property
η	[0.0000287; 0.0007385]	Pa×s	[469.44; 851.67]
η	0.0007385	Pa×s	469.44	Joback Calculated Property
η	0.0003111	Pa×s	533.14	Joback Calculated Property
η	0.0001576	Pa×s	596.85	Joback Calculated Property
η	0.0000910	Pa×s	660.56	Joback Calculated Property
η	0.0000579	Pa×s	724.26	Joback Calculated Property
η	0.0000396	Pa×s	787.97	Joback Calculated Property
η	0.0000287	Pa×s	851.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 3-methylbutyl ester.

Sources

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

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