Chemical Properties of Pimelic acid, 4-methyl-2-pentyl 3-(2-methoxyethyl)nonyl ester

InChI

InChI=1S/C25H48O5/c1-6-7-8-10-13-23(16-18-28-5)17-19-29-24(26)14-11-9-12-15-25(27)30-22(4)20-21(2)3/h21-23H,6-20H2,1-5H3

InChI Key

GODOBVFMCMSPFZ-UHFFFAOYSA-N

Formula

C25H48O5

SMILES

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

Molecular Weight¹

428.65

• 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	1.1135		Relay (1.0) Calculated Property
ΔfG°	-420.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1311.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.70	kJ/mol	Joback Calculated Property
ΔvapH°	109.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-5.37		Relay (1.0) Calculated Property
logPoct/wat	6.471		Crippen Calculated Property
McVol	383.860	ml/mol	McGowan Calculated Property
Pc	807.54	kPa	Joback Calculated Property
Inp	[2699.00; 2699.00]
Inp	2699.00		NIST
Inp	2699.00		NIST
Tboil	649.69	K	Relay (1.0) Calculated Property
Tc	817.88	K	Relay (1.0) Calculated Property
Tfus	250.74	K	Relay (1.0) Calculated Property
Vc	1.422	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1314.37; 1408.77]	J/mol×K	[945.08; 1160.19]
Cp,gas	1314.37	J/mol×K	945.08	Joback Calculated Property
Cp,gas	1334.34	J/mol×K	980.93	Joback Calculated Property
Cp,gas	1352.58	J/mol×K	1016.78	Joback Calculated Property
Cp,gas	1369.11	J/mol×K	1052.64	Joback Calculated Property
Cp,gas	1383.97	J/mol×K	1088.49	Joback Calculated Property
Cp,gas	1397.18	J/mol×K	1124.34	Joback Calculated Property
Cp,gas	1408.77	J/mol×K	1160.19	Joback Calculated Property
η	[0.0000141; 0.0004794]	Pa×s	[493.06; 945.08]
η	0.0004794	Pa×s	493.06	Joback Calculated Property
η	0.0001804	Pa×s	568.40	Joback Calculated Property
η	0.0000853	Pa×s	643.73	Joback Calculated Property
η	0.0000472	Pa×s	719.07	Joback Calculated Property
η	0.0000292	Pa×s	794.41	Joback Calculated Property
η	0.0000197	Pa×s	869.74	Joback Calculated Property
η	0.0000141	Pa×s	945.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 3-(2-methoxyethyl)nonyl ester.

Sources

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

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