Chemical Properties of Diethylmalonic acid, 5-methoxy-3-methylpentyl tridecyl ester

InChI

InChI=1S/C27H52O5/c1-6-9-10-11-12-13-14-15-16-17-18-21-31-25(28)27(7-2,8-3)26(29)32-23-20-24(4)19-22-30-5/h24H,6-23H2,1-5H3

InChI Key

DEGGHBKEFOHVRT-UHFFFAOYSA-N

Formula

C27H52O5

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCC(C)CCOC

Molecular Weight¹

456.70

• 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	1.1623		Relay (1.0) Calculated Property
ΔfG°	-395.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1313.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.51	kJ/mol	Joback Calculated Property
ΔvapH°	118.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-6.32		Relay (1.0) Calculated Property
logPoct/wat	7.253		Crippen Calculated Property
McVol	412.040	ml/mol	McGowan Calculated Property
Pc	727.31	kPa	Joback Calculated Property
Inp	[2792.00; 2792.00]
Inp	2792.00		NIST
Inp	2792.00		NIST
Tboil	657.26	K	Relay (1.0) Calculated Property
Tc	842.54	K	Relay (1.0) Calculated Property
Tfus	276.29	K	Relay (1.0) Calculated Property
Vc	1.525	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1441.38; 1539.76]	J/mol×K	[988.49; 1219.20]
Cp,gas	1441.38	J/mol×K	988.49	Joback Calculated Property
Cp,gas	1462.25	J/mol×K	1026.94	Joback Calculated Property
Cp,gas	1481.25	J/mol×K	1065.39	Joback Calculated Property
Cp,gas	1498.43	J/mol×K	1103.85	Joback Calculated Property
Cp,gas	1513.86	J/mol×K	1142.30	Joback Calculated Property
Cp,gas	1527.61	J/mol×K	1180.75	Joback Calculated Property
Cp,gas	1539.76	J/mol×K	1219.20	Joback Calculated Property
η	[0.0000093; 0.0002391]	Pa×s	[548.02; 988.49]
η	0.0002391	Pa×s	548.02	Joback Calculated Property
η	0.0001012	Pa×s	621.43	Joback Calculated Property
η	0.0000513	Pa×s	694.84	Joback Calculated Property
η	0.0000297	Pa×s	768.25	Joback Calculated Property
η	0.0000189	Pa×s	841.67	Joback Calculated Property
η	0.0000129	Pa×s	915.08	Joback Calculated Property
η	0.0000093	Pa×s	988.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 5-methoxy-3-methylpentyl tridecyl ester.

Sources

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

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