Chemical Properties of Pimelic acid, isobutyl 2-methylphenyl ester

InChI

InChI=1S/C18H26O4/c1-14(2)13-21-17(19)11-5-4-6-12-18(20)22-16-10-8-7-9-15(16)3/h7-10,14H,4-6,11-13H2,1-3H3

InChI Key

GSRZBSTUDJPTOZ-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

Cc1ccccc1OC(=O)CCCCCC(=O)OCC(C)C

Molecular Weight¹

306.40

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-812.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.08	kJ/mol	Joback Calculated Property
ΔvapH°	90.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-4.14		Relay (1.0) Calculated Property
logPoct/wat	4.050		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[2252.00; 2252.00]
Inp	2252.00		NIST
Inp	2252.00		NIST
Tboil	615.05	K	Relay (1.0) Calculated Property
Tc	812.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[761.78; 841.10]	J/mol×K	[795.04; 997.07]
Cp,gas	761.78	J/mol×K	795.04	Joback Calculated Property
Cp,gas	777.64	J/mol×K	828.71	Joback Calculated Property
Cp,gas	792.42	J/mol×K	862.38	Joback Calculated Property
Cp,gas	806.14	J/mol×K	896.06	Joback Calculated Property
Cp,gas	818.82	J/mol×K	929.73	Joback Calculated Property
Cp,gas	830.46	J/mol×K	963.40	Joback Calculated Property
Cp,gas	841.10	J/mol×K	997.07	Joback Calculated Property
η	[0.0000662; 0.0008214]	Pa×s	[460.88; 795.04]
η	0.0008214	Pa×s	460.88	Joback Calculated Property
η	0.0004305	Pa×s	516.57	Joback Calculated Property
η	0.0002558	Pa×s	572.27	Joback Calculated Property
η	0.0001668	Pa×s	627.96	Joback Calculated Property
η	0.0001165	Pa×s	683.65	Joback Calculated Property
η	0.0000860	Pa×s	739.35	Joback Calculated Property
η	0.0000662	Pa×s	795.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, isobutyl 2-methylphenyl 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.