Chemical Properties of Pimelic acid, hexyl 4-methyl-2-pentyl ester

InChI

InChI=1S/C19H36O4/c1-5-6-7-11-14-22-18(20)12-9-8-10-13-19(21)23-17(4)15-16(2)3/h16-17H,5-15H2,1-4H3

InChI Key

XMOACULYPPFNDO-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CCCCCCOC(=O)CCCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

328.49

• 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	-1080.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.49	kJ/mol	Joback Calculated Property
ΔvapH°	88.69	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	5.038		Crippen Calculated Property
McVol	293.450	ml/mol	McGowan Calculated Property
Pc	1161.66	kPa	Joback Calculated Property
Inp	[1636.00; 1636.00]
Inp	1636.00		NIST
Inp	1636.00		NIST
Tboil	589.69	K	Relay (1.0) Calculated Property
Tc	758.99	K	Relay (1.0) Calculated Property
Tfus	247.46	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	[909.87; 1003.26]	J/mol×K	[785.82; 968.88]
Cp,gas	909.87	J/mol×K	785.82	Joback Calculated Property
Cp,gas	927.92	J/mol×K	816.33	Joback Calculated Property
Cp,gas	944.96	J/mol×K	846.84	Joback Calculated Property
Cp,gas	961.00	J/mol×K	877.35	Joback Calculated Property
Cp,gas	976.05	J/mol×K	907.86	Joback Calculated Property
Cp,gas	990.13	J/mol×K	938.37	Joback Calculated Property
Cp,gas	1003.26	J/mol×K	968.88	Joback Calculated Property
η	[0.0000520; 0.0013492]	Pa×s	[418.21; 785.82]
η	0.0013492	Pa×s	418.21	Joback Calculated Property
η	0.0005543	Pa×s	479.48	Joback Calculated Property
η	0.0002785	Pa×s	540.75	Joback Calculated Property
η	0.0001610	Pa×s	602.01	Joback Calculated Property
η	0.0001030	Pa×s	663.28	Joback Calculated Property
η	0.0000711	Pa×s	724.55	Joback Calculated Property
η	0.0000520	Pa×s	785.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, hexyl 4-methyl-2-pentyl 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.