Chemical Properties of Pimelic acid, dodecyl 5-methoxy-3-methylpent-2-yl ester

InChI

InChI=1S/C26H50O5/c1-5-6-7-8-9-10-11-12-13-17-21-30-25(27)18-15-14-16-19-26(28)31-24(3)23(2)20-22-29-4/h23-24H,5-22H2,1-4H3

InChI Key

QIEALWZDKSJBAV-UHFFFAOYSA-N

Formula

C26H50O5

SMILES

CCCCCCCCCCCCOC(=O)CCCCCC(=O)OC(C)C(C)CCOC

Molecular Weight¹

442.68

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1323.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.81	kJ/mol	Joback Calculated Property
ΔvapH°	116.33	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	7.005		Crippen Calculated Property
McVol	397.950	ml/mol	McGowan Calculated Property
Pc	761.84	kPa	Joback Calculated Property
Inp	[2947.00; 2947.00]
Inp	2947.00		NIST
Inp	2947.00		NIST
Tboil	656.87	K	Relay (1.0) Calculated Property
Tc	831.31	K	Relay (1.0) Calculated Property
Tfus	273.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1377.84; 1473.33]	J/mol×K	[968.40; 1193.44]
Cp,gas	1377.84	J/mol×K	968.40	Joback Calculated Property
Cp,gas	1398.42	J/mol×K	1005.91	Joback Calculated Property
Cp,gas	1417.09	J/mol×K	1043.41	Joback Calculated Property
Cp,gas	1433.87	J/mol×K	1080.92	Joback Calculated Property
Cp,gas	1448.82	J/mol×K	1118.43	Joback Calculated Property
Cp,gas	1461.96	J/mol×K	1155.94	Joback Calculated Property
Cp,gas	1473.33	J/mol×K	1193.44	Joback Calculated Property
η	[0.0000132; 0.0003561]	Pa×s	[519.33; 968.40]
η	0.0003561	Pa×s	519.33	Joback Calculated Property
η	0.0001454	Pa×s	594.17	Joback Calculated Property
η	0.0000725	Pa×s	669.02	Joback Calculated Property
η	0.0000416	Pa×s	743.87	Joback Calculated Property
η	0.0000264	Pa×s	818.71	Joback Calculated Property
η	0.0000181	Pa×s	893.55	Joback Calculated Property
η	0.0000132	Pa×s	968.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, dodecyl 5-methoxy-3-methylpent-2-yl 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.