Chemical Properties of Diethylmalonic acid, decyl 2-methoxyethyl ester

InChI

InChI=1S/C20H38O5/c1-5-8-9-10-11-12-13-14-15-24-18(21)20(6-2,7-3)19(22)25-17-16-23-4/h5-17H2,1-4H3

InChI Key

ZBUWRECEUGOTSB-UHFFFAOYSA-N

Formula

C20H38O5

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCOC

Molecular Weight¹

358.51

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.9655		Relay (1.0) Calculated Property
ΔfH°gas	-1159.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.07	kJ/mol	Joback Calculated Property
ΔvapH°	98.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-4.58		Relay (1.0) Calculated Property
logPoct/wat	4.666		Crippen Calculated Property
McVol	313.410	ml/mol	McGowan Calculated Property
Pc	1023.34	kPa	Joback Calculated Property
Inp	[2183.00; 2183.00]
Inp	2183.00		NIST
Inp	2183.00		NIST
Tboil	610.82	K	Relay (1.0) Calculated Property
Tc	795.43	K	Relay (1.0) Calculated Property
Tfus	273.55	K	Relay (1.0) Calculated Property
Vc	1.158	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[985.16; 1077.65]	J/mol×K	[792.83; 975.04]
Cp,gas	985.16	J/mol×K	792.83	Joback Calculated Property
Cp,gas	1003.34	J/mol×K	823.20	Joback Calculated Property
Cp,gas	1020.38	J/mol×K	853.57	Joback Calculated Property
Cp,gas	1036.31	J/mol×K	883.94	Joback Calculated Property
Cp,gas	1051.15	J/mol×K	914.31	Joback Calculated Property
Cp,gas	1064.93	J/mol×K	944.68	Joback Calculated Property
Cp,gas	1077.65	J/mol×K	975.04	Joback Calculated Property
η	[0.0000253; 0.0009726]	Pa×s	[424.47; 792.83]
η	0.0009726	Pa×s	424.47	Joback Calculated Property
η	0.0003603	Pa×s	485.86	Joback Calculated Property
η	0.0001668	Pa×s	547.26	Joback Calculated Property
η	0.0000902	Pa×s	608.65	Joback Calculated Property
η	0.0000546	Pa×s	670.04	Joback Calculated Property
η	0.0000359	Pa×s	731.44	Joback Calculated Property
η	0.0000253	Pa×s	792.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 2-methoxyethyl ester.

Sources

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

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