Chemical Properties of Pimelic acid, 2-(2-methoxyethyl)heptyl 4-methyl-2-pentyl ester

InChI

InChI=1S/C23H44O5/c1-6-7-9-12-21(15-16-26-5)18-27-22(24)13-10-8-11-14-23(25)28-20(4)17-19(2)3/h19-21H,6-18H2,1-5H3

InChI Key

BEKBNVBFIPJUAC-UHFFFAOYSA-N

Formula

C23H44O5

SMILES

CCCCCC(CCOC)COC(=O)CCCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

400.59

• 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	1.0476		Relay (1.0) Calculated Property
ΔfG°	-437.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1280.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.52	kJ/mol	Joback Calculated Property
ΔvapH°	102.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	5.691		Crippen Calculated Property
McVol	355.680	ml/mol	McGowan Calculated Property
Pc	903.43	kPa	Joback Calculated Property
Inp	[2510.00; 2510.00]
Inp	2510.00		NIST
Inp	2510.00		NIST
Tboil	635.79	K	Relay (1.0) Calculated Property
Tc	799.14	K	Relay (1.0) Calculated Property
Tfus	236.74	K	Relay (1.0) Calculated Property
Vc	1.319	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1187.95; 1281.56]	J/mol×K	[899.32; 1101.14]
Cp,gas	1187.95	J/mol×K	899.32	Joback Calculated Property
Cp,gas	1207.15	J/mol×K	932.96	Joback Calculated Property
Cp,gas	1224.89	J/mol×K	966.59	Joback Calculated Property
Cp,gas	1241.18	J/mol×K	1000.23	Joback Calculated Property
Cp,gas	1256.04	J/mol×K	1033.86	Joback Calculated Property
Cp,gas	1269.50	J/mol×K	1067.50	Joback Calculated Property
Cp,gas	1281.56	J/mol×K	1101.14	Joback Calculated Property
η	[0.0000193; 0.0006365]	Pa×s	[470.52; 899.32]
η	0.0006365	Pa×s	470.52	Joback Calculated Property
η	0.0002422	Pa×s	541.99	Joback Calculated Property
η	0.0001154	Pa×s	613.45	Joback Calculated Property
η	0.0000642	Pa×s	684.92	Joback Calculated Property
η	0.0000399	Pa×s	756.39	Joback Calculated Property
η	0.0000269	Pa×s	827.85	Joback Calculated Property
η	0.0000193	Pa×s	899.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 2-(2-methoxyethyl)heptyl 4-methyl-2-pentyl ester.

Sources

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

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