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

InChI

InChI=1S/C26H50O5/c1-4-6-8-9-10-11-16-21-30-25(27)18-14-12-15-19-26(28)31-23-24(20-22-29-3)17-13-7-5-2/h24H,4-23H2,1-3H3

InChI Key

JKQVAHXBLZERCY-UHFFFAOYSA-N

Formula

C26H50O5

SMILES

CCCCCCCCCOC(=O)CCCCCC(=O)OCC(CCCCC)CCOC

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	1.2259		Relay (1.0) Calculated Property
ΔfG°	-407.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1303.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.33	kJ/mol	Joback Calculated Property
ΔvapH°	117.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-5.91		Relay (1.0) Calculated Property
logPoct/wat	7.007		Crippen Calculated Property
McVol	397.950	ml/mol	McGowan Calculated Property
Pc	758.49	kPa	Joback Calculated Property
Inp	[2936.00; 2936.00]
Inp	2936.00		NIST
Inp	2936.00		NIST
Tboil	668.56	K	Relay (1.0) Calculated Property
Tc	834.38	K	Relay (1.0) Calculated Property
Tfus	259.44	K	Relay (1.0) Calculated Property
Vc	1.499	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1377.50; 1473.97]	J/mol×K	[968.84; 1195.64]
Cp,gas	1377.50	J/mol×K	968.84	Joback Calculated Property
Cp,gas	1398.28	J/mol×K	1006.64	Joback Calculated Property
Cp,gas	1417.13	J/mol×K	1044.44	Joback Calculated Property
Cp,gas	1434.09	J/mol×K	1082.24	Joback Calculated Property
Cp,gas	1449.19	J/mol×K	1120.04	Joback Calculated Property
Cp,gas	1462.47	J/mol×K	1157.84	Joback Calculated Property
Cp,gas	1473.97	J/mol×K	1195.64	Joback Calculated Property
η	[0.0000145; 0.0003107]	Pa×s	[534.33; 968.84]
η	0.0003107	Pa×s	534.33	Joback Calculated Property
η	0.0001373	Pa×s	606.75	Joback Calculated Property
η	0.0000722	Pa×s	679.17	Joback Calculated Property
η	0.0000430	Pa×s	751.58	Joback Calculated Property
η	0.0000281	Pa×s	824.00	Joback Calculated Property
η	0.0000196	Pa×s	896.42	Joback Calculated Property
η	0.0000145	Pa×s	968.84	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.