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

InChI

InChI=1S/C17H32O5/c1-5-12-21-16(18)9-7-6-8-10-17(19)22-15(3)14(2)11-13-20-4/h14-15H,5-13H2,1-4H3

InChI Key

LLPZUBAJTFBHJU-UHFFFAOYSA-N

Formula

C17H32O5

SMILES

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

Molecular Weight¹

316.43

• 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	-1146.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.50	kJ/mol	Joback Calculated Property
ΔvapH°	84.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	3.494		Crippen Calculated Property
McVol	271.140	ml/mol	McGowan Calculated Property
Pc	1313.70	kPa	Joback Calculated Property
Inp	[2070.00; 2070.00]
Inp	2070.00		NIST
Inp	2070.00		NIST
Tboil	592.41	K	Relay (1.0) Calculated Property
Tc	754.93	K	Relay (1.0) Calculated Property
Tfus	239.06	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	[822.56; 910.80]	J/mol×K	[762.48; 944.32]
Cp,gas	822.56	J/mol×K	762.48	Joback Calculated Property
Cp,gas	839.65	J/mol×K	792.79	Joback Calculated Property
Cp,gas	855.78	J/mol×K	823.09	Joback Calculated Property
Cp,gas	870.96	J/mol×K	853.40	Joback Calculated Property
Cp,gas	885.19	J/mol×K	883.71	Joback Calculated Property
Cp,gas	898.47	J/mol×K	914.02	Joback Calculated Property
Cp,gas	910.80	J/mol×K	944.32	Joback Calculated Property
η	[0.0000520; 0.0011284]	Pa×s	[417.90; 762.48]
η	0.0011284	Pa×s	417.90	Joback Calculated Property
η	0.0004957	Pa×s	475.33	Joback Calculated Property
η	0.0002600	Pa×s	532.76	Joback Calculated Property
η	0.0001546	Pa×s	590.19	Joback Calculated Property
η	0.0001008	Pa×s	647.62	Joback Calculated Property
η	0.0000705	Pa×s	705.05	Joback Calculated Property
η	0.0000520	Pa×s	762.48	Joback Calculated Property

Similar Compounds

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