Chemical Properties of Diethylmalonic acid, hexadecyl 2-methoxyethyl ester

InChI

InChI=1S/C26H50O5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)26(6-2,7-3)25(28)31-23-22-29-4/h5-23H2,1-4H3

InChI Key

HUAHBJXSROVQFQ-UHFFFAOYSA-N

Formula

C26H50O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCOC

Molecular Weight¹

442.67

• 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	1.1785		Relay (1.0) Calculated Property
ΔfG°	-401.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1279.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.44	kJ/mol	Joback Calculated Property
ΔvapH°	120.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-6.45		Relay (1.0) Calculated Property
logPoct/wat	7.007		Crippen Calculated Property
McVol	397.950	ml/mol	McGowan Calculated Property
Pc	763.10	kPa	Joback Calculated Property
Inp	[2812.00; 2812.00]
Inp	2812.00		NIST
Inp	2812.00		NIST
Tboil	652.95	K	Relay (1.0) Calculated Property
Tc	836.24	K	Relay (1.0) Calculated Property
Tfus	301.05	K	Relay (1.0) Calculated Property
Vc	1.486	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1376.87; 1475.24]	J/mol×K	[966.05; 1189.08]
Cp,gas	1376.87	J/mol×K	966.05	Joback Calculated Property
Cp,gas	1397.41	J/mol×K	1003.22	Joback Calculated Property
Cp,gas	1416.21	J/mol×K	1040.39	Joback Calculated Property
Cp,gas	1433.34	J/mol×K	1077.56	Joback Calculated Property
Cp,gas	1448.85	J/mol×K	1114.73	Joback Calculated Property
Cp,gas	1462.80	J/mol×K	1151.91	Joback Calculated Property
Cp,gas	1475.24	J/mol×K	1189.08	Joback Calculated Property
η	[0.0000121; 0.0002423]	Pa×s	[551.75; 966.05]
η	0.0002423	Pa×s	551.75	Joback Calculated Property
η	0.0001113	Pa×s	620.80	Joback Calculated Property
η	0.0000598	Pa×s	689.85	Joback Calculated Property
η	0.0000359	Pa×s	758.90	Joback Calculated Property
η	0.0000235	Pa×s	827.95	Joback Calculated Property
η	0.0000164	Pa×s	897.00	Joback Calculated Property
η	0.0000121	Pa×s	966.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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