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

InChI

InChI=1S/C29H56O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-24-33-28(30)21-18-17-19-22-29(31)34-27(3)26(2)23-25-32-4/h26-27H,5-25H2,1-4H3

InChI Key

BKTINWQNMXBDEN-UHFFFAOYSA-N

Formula

C29H56O5

SMILES

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

Molecular Weight¹

484.75

• 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	-1382.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.58	kJ/mol	Joback Calculated Property
ΔvapH°	127.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.72		Relay (1.0) Calculated Property
logPoct/wat	8.176		Crippen Calculated Property
McVol	440.220	ml/mol	McGowan Calculated Property
Pc	653.77	kPa	Joback Calculated Property
Inp	[3246.00; 3246.00]
Inp	3246.00		NIST
Inp	3246.00		NIST
Tboil	676.78	K	Relay (1.0) Calculated Property
Tc	851.08	K	Relay (1.0) Calculated Property
Tfus	285.31	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	[1571.18; 1666.00]	J/mol×K	[1037.04; 1296.45]
Cp,gas	1571.18	J/mol×K	1037.04	Joback Calculated Property
Cp,gas	1593.30	J/mol×K	1080.28	Joback Calculated Property
Cp,gas	1612.80	J/mol×K	1123.51	Joback Calculated Property
Cp,gas	1629.75	J/mol×K	1166.75	Joback Calculated Property
Cp,gas	1644.21	J/mol×K	1209.98	Joback Calculated Property
Cp,gas	1656.27	J/mol×K	1253.22	Joback Calculated Property
Cp,gas	1666.00	J/mol×K	1296.45	Joback Calculated Property
η	[0.0000081; 0.0002316]	Pa×s	[553.14; 1037.04]
η	0.0002316	Pa×s	553.14	Joback Calculated Property
η	0.0000928	Pa×s	633.79	Joback Calculated Property
η	0.0000457	Pa×s	714.44	Joback Calculated Property
η	0.0000260	Pa×s	795.09	Joback Calculated Property
η	0.0000164	Pa×s	875.74	Joback Calculated Property
η	0.0000112	Pa×s	956.39	Joback Calculated Property
η	0.0000081	Pa×s	1037.04	Joback Calculated Property

Similar Compounds

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