Chemical Properties of Pimelic acid, isobutyl 3-(2-methoxyethyl)nonyl ester

InChI

InChI=1S/C23H44O5/c1-5-6-7-9-12-21(15-17-26-4)16-18-27-22(24)13-10-8-11-14-23(25)28-19-20(2)3/h20-21H,5-19H2,1-4H3

InChI Key

YZSXUTANMBKAKL-UHFFFAOYSA-N

Formula

C23H44O5

SMILES

CCCCCCC(CCOC)CCOC(=O)CCCCCC(=O)OCC(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	1.0873		Relay (... Calculated Property
ΔfG°	-434.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1252.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	55.04	kJ/mol	Joback Calculated Property
ΔvapH°	104.01	kJ/mol	Relay (... Calculated Property
IE	9.31	eV	Relay (... Calculated Property
log10WS	-4.95		Relay (... Calculated Property
logPoct/wat	5.692		Crippen Calculated Property
McVol	355.680	ml/mol	McGowan Calculated Property
Pc	899.10	kPa	Joback Calculated Property
Inp	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		NIST
Tboil	646.30	K	Relay (... Calculated Property
Tc	806.92	K	Relay (... Calculated Property
Tfus	253.07	K	Relay (... Calculated Property
Vc	1.324	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1187.52; 1281.54]	J/mol×K	[899.76; 1101.93]
Cp,gas	1187.52	J/mol×K	899.76	Joback Calculated Property
Cp,gas	1206.77	J/mol×K	933.46	Joback Calculated Property
Cp,gas	1224.57	J/mol×K	967.15	Joback Calculated Property
Cp,gas	1240.93	J/mol×K	1000.85	Joback Calculated Property
Cp,gas	1255.86	J/mol×K	1034.54	Joback Calculated Property
Cp,gas	1269.40	J/mol×K	1068.24	Joback Calculated Property
Cp,gas	1281.54	J/mol×K	1101.93	Joback Calculated Property
η	[0.0000212; 0.0005368]	Pa×s	[485.52; 899.76]
η	0.0005368	Pa×s	485.52	Joback Calculated Property
η	0.0002239	Pa×s	554.56	Joback Calculated Property
η	0.0001133	Pa×s	623.60	Joback Calculated Property
η	0.0000657	Pa×s	692.64	Joback Calculated Property
η	0.0000421	Pa×s	761.68	Joback Calculated Property
η	0.0000290	Pa×s	830.72	Joback Calculated Property
η	0.0000212	Pa×s	899.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, isobutyl 3-(2-methoxyethyl)nonyl ester.

Sources

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

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