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

InChI

InChI=1S/C19H36O5/c1-5-6-10-14-23-18(20)11-8-7-9-12-19(21)24-17(3)16(2)13-15-22-4/h16-17H,5-15H2,1-4H3

InChI Key

MVHMWLAPHOTQIW-UHFFFAOYSA-N

Formula

C19H36O5

SMILES

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

Molecular Weight¹

344.49

• 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	-1185.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.68	kJ/mol	Joback Calculated Property
ΔvapH°	90.91	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.45		Relay (1.0) Calculated Property
logPoct/wat	4.275		Crippen Calculated Property
McVol	299.320	ml/mol	McGowan Calculated Property
Pc	1148.32	kPa	Joback Calculated Property
Inp	[2260.00; 2260.00]
Inp	2260.00		NIST
Inp	2260.00		NIST
Tboil	607.49	K	Relay (1.0) Calculated Property
Tc	775.71	K	Relay (1.0) Calculated Property
Tfus	241.28	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	[941.23; 1031.79]	J/mol×K	[808.24; 993.75]
Cp,gas	941.23	J/mol×K	808.24	Joback Calculated Property
Cp,gas	959.02	J/mol×K	839.16	Joback Calculated Property
Cp,gas	975.71	J/mol×K	870.08	Joback Calculated Property
Cp,gas	991.34	J/mol×K	900.99	Joback Calculated Property
Cp,gas	1005.88	J/mol×K	931.91	Joback Calculated Property
Cp,gas	1019.37	J/mol×K	962.83	Joback Calculated Property
Cp,gas	1031.79	J/mol×K	993.75	Joback Calculated Property
η	[0.0000389; 0.0008930]	Pa×s	[440.44; 808.24]
η	0.0008930	Pa×s	440.44	Joback Calculated Property
η	0.0003849	Pa×s	501.74	Joback Calculated Property
η	0.0001993	Pa×s	563.04	Joback Calculated Property
η	0.0001174	Pa×s	624.34	Joback Calculated Property
η	0.0000760	Pa×s	685.64	Joback Calculated Property
η	0.0000529	Pa×s	746.94	Joback Calculated Property
η	0.0000389	Pa×s	808.24	Joback Calculated Property

Similar Compounds

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