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

InChI

InChI=1S/C27H52O5/c1-5-6-7-8-9-10-11-12-13-14-18-22-31-26(28)19-16-15-17-20-27(29)32-25(3)24(2)21-23-30-4/h24-25H,5-23H2,1-4H3

InChI Key

DWANHPDLJLMTEU-UHFFFAOYSA-N

Formula

C27H52O5

SMILES

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

Molecular Weight¹

456.71

• 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	-1343.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.40	kJ/mol	Joback Calculated Property
ΔvapH°	120.22	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	7.395		Crippen Calculated Property
McVol	412.040	ml/mol	McGowan Calculated Property
Pc	723.02	kPa	Joback Calculated Property
Inp	[3047.00; 3047.00]
Inp	3047.00		NIST
Inp	3047.00		NIST
Tboil	663.57	K	Relay (1.0) Calculated Property
Tc	838.07	K	Relay (1.0) Calculated Property
Tfus	277.37	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	[1442.02; 1537.61]	J/mol×K	[991.28; 1226.37]
Cp,gas	1442.02	J/mol×K	991.28	Joback Calculated Property
Cp,gas	1463.10	J/mol×K	1030.46	Joback Calculated Property
Cp,gas	1482.05	J/mol×K	1069.64	Joback Calculated Property
Cp,gas	1498.93	J/mol×K	1108.82	Joback Calculated Property
Cp,gas	1513.79	J/mol×K	1148.01	Joback Calculated Property
Cp,gas	1526.67	J/mol×K	1187.19	Joback Calculated Property
Cp,gas	1537.61	J/mol×K	1226.37	Joback Calculated Property
η	[0.0000112; 0.0003092]	Pa×s	[530.60; 991.28]
η	0.0003092	Pa×s	530.60	Joback Calculated Property
η	0.0001254	Pa×s	607.38	Joback Calculated Property
η	0.0000623	Pa×s	684.16	Joback Calculated Property
η	0.0000356	Pa×s	760.94	Joback Calculated Property
η	0.0000226	Pa×s	837.72	Joback Calculated Property
η	0.0000155	Pa×s	914.50	Joback Calculated Property
η	0.0000112	Pa×s	991.28	Joback Calculated Property

Similar Compounds

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