Chemical Properties of Glutaric acid, 3-methylbut-2-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C17H23ClO5/c1-11(2)12(3)22-16(19)6-5-7-17(20)23-14-9-8-13(18)10-15(14)21-4/h8-12H,5-7H2,1-4H3

InChI Key

ISFZYCWVHUVITK-UHFFFAOYSA-N

Formula

C17H23ClO5

SMILES

COc1cc(Cl)ccc1OC(=O)CCCC(=O)OC(C)C(C)C

Molecular Weight¹

342.81

• 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).
• 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
ΔfG°	-404.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-828.74	kJ/mol	Joback Calculated Property
ΔfusH°	36.96	kJ/mol	Joback Calculated Property
ΔvapH°	81.37	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	259.620	ml/mol	McGowan Calculated Property
Pc	1606.42	kPa	Joback Calculated Property
Inp	[2341.00; 2341.00]
Inp	2341.00		NIST
Inp	2341.00		NIST
Tboil	836.55	K	Joback Calculated Property
Tc	1046.56	K	Joback Calculated Property
Tfus	499.28	K	Joback Calculated Property
Vc	0.983	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.12; 825.81]	J/mol×K	[836.55; 1046.56]
Cp,gas	759.12	J/mol×K	836.55	Joback Calculated Property
Cp,gas	773.15	J/mol×K	871.55	Joback Calculated Property
Cp,gas	786.02	J/mol×K	906.55	Joback Calculated Property
Cp,gas	797.72	J/mol×K	941.56	Joback Calculated Property
Cp,gas	808.25	J/mol×K	976.56	Joback Calculated Property
Cp,gas	817.62	J/mol×K	1011.56	Joback Calculated Property
Cp,gas	825.81	J/mol×K	1046.56	Joback Calculated Property
η	[0.0000462; 0.0004995]	Pa×s	[499.28; 836.55]
η	0.0004995	Pa×s	499.28	Joback Calculated Property
η	0.0002748	Pa×s	555.49	Joback Calculated Property
η	0.0001688	Pa×s	611.70	Joback Calculated Property
η	0.0001125	Pa×s	667.91	Joback Calculated Property
η	0.0000799	Pa×s	724.13	Joback Calculated Property
η	0.0000596	Pa×s	780.34	Joback Calculated Property
η	0.0000462	Pa×s	836.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 4-chloro-2-methoxyphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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