Chemical Properties of Pimelic acid, 4-chloro-3-methylphenyl isobutyl ester

InChI

InChI=1S/C18H25ClO4/c1-13(2)12-22-17(20)7-5-4-6-8-18(21)23-15-9-10-16(19)14(3)11-15/h9-11,13H,4-8,12H2,1-3H3

InChI Key

PQWUDJIDINWULW-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

Cc1cc(OC(=O)CCCCCC(=O)OCC(C)C)ccc1Cl

Molecular Weight¹

340.84

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9013		Relay (... Calculated Property
ΔfG°	-288.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-861.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.89	kJ/mol	Joback Calculated Property
ΔvapH°	94.00	kJ/mol	Relay (... Calculated Property
IE	8.40	eV	Relay (... Calculated Property
log10WS	-5.28		Relay (... Calculated Property
logPoct/wat	4.704		Crippen Calculated Property
McVol	267.840	ml/mol	McGowan Calculated Property
Pc	1499.99	kPa	Joback Calculated Property
Inp	[2470.00; 2470.00]
Inp	2470.00		NIST
Inp	2470.00		NIST
Tboil	631.12	K	Relay (... Calculated Property
Tc	837.38	K	Relay (... Calculated Property
Tfus	318.64	K	Relay (... Calculated Property
Vc	0.991	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[788.01; 859.32]	J/mol×K	[837.45; 1044.56]
Cp,gas	788.01	J/mol×K	837.45	Joback Calculated Property
Cp,gas	802.59	J/mol×K	871.97	Joback Calculated Property
Cp,gas	816.08	J/mol×K	906.49	Joback Calculated Property
Cp,gas	828.48	J/mol×K	941.00	Joback Calculated Property
Cp,gas	839.81	J/mol×K	975.52	Joback Calculated Property
Cp,gas	850.09	J/mol×K	1010.04	Joback Calculated Property
Cp,gas	859.32	J/mol×K	1044.56	Joback Calculated Property
η	[0.0000583; 0.0005729]	Pa×s	[503.32; 837.45]
η	0.0005729	Pa×s	503.32	Joback Calculated Property
η	0.0003239	Pa×s	559.01	Joback Calculated Property
η	0.0002030	Pa×s	614.70	Joback Calculated Property
η	0.0001375	Pa×s	670.38	Joback Calculated Property
η	0.0000989	Pa×s	726.07	Joback Calculated Property
η	0.0000745	Pa×s	781.76	Joback Calculated Property
η	0.0000583	Pa×s	837.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl isobutyl 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.