Chemical Properties of Glutaric acid, 3-chlorophenyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H21ClO5/c1-14(2)24-17-9-3-4-10-18(17)26-20(23)12-6-11-19(22)25-16-8-5-7-15(21)13-16/h3-5,7-10,13-14H,6,11-12H2,1-2H3

InChI Key

MTSKXBUFGZCBJG-UHFFFAOYSA-N

Formula

C20H21ClO5

SMILES

CC(C)Oc1ccccc1OC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

376.83

• 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	0.9145		Relay (1.0) Calculated Property
ΔfG°	-264.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.30	kJ/mol	Joback Calculated Property
ΔvapH°	111.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	4.808		Crippen Calculated Property
McVol	278.130	ml/mol	McGowan Calculated Property
Pc	1652.46	kPa	Joback Calculated Property
Inp	[2747.00; 2747.00]
Inp	2747.00		NIST
Inp	2747.00		NIST
Tboil	668.98	K	Relay (1.0) Calculated Property
Tc	916.46	K	Relay (1.0) Calculated Property
Tfus	339.99	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[830.21; 880.84]	J/mol×K	[932.31; 1162.42]
Cp,gas	830.21	J/mol×K	932.31	Joback Calculated Property
Cp,gas	842.18	J/mol×K	970.66	Joback Calculated Property
Cp,gas	852.71	J/mol×K	1009.01	Joback Calculated Property
Cp,gas	861.82	J/mol×K	1047.36	Joback Calculated Property
Cp,gas	869.54	J/mol×K	1085.72	Joback Calculated Property
Cp,gas	875.87	J/mol×K	1124.07	Joback Calculated Property
Cp,gas	880.84	J/mol×K	1162.42	Joback Calculated Property
η	[0.0000337; 0.0002906]	Pa×s	[574.51; 932.31]
η	0.0002906	Pa×s	574.51	Joback Calculated Property
η	0.0001714	Pa×s	634.14	Joback Calculated Property
η	0.0001107	Pa×s	693.78	Joback Calculated Property
η	0.0000766	Pa×s	753.41	Joback Calculated Property
η	0.0000560	Pa×s	813.04	Joback Calculated Property
η	0.0000427	Pa×s	872.68	Joback Calculated Property
η	0.0000337	Pa×s	932.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2-isopropoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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