Chemical Properties of Glutaric acid, 3-chlorophenyl 3-phenoxybenzyl ester

InChI

InChI=1S/C24H21ClO5/c25-19-8-5-12-22(16-19)30-24(27)14-6-13-23(26)28-17-18-7-4-11-21(15-18)29-20-9-2-1-3-10-20/h1-5,7-12,15-16H,6,13-14,17H2

InChI Key

GEYKCJMNEIURQX-UHFFFAOYSA-N

Formula

C24H21ClO5

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

424.87

• 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	0.9707		Relay (1.0) Calculated Property
ΔfG°	-115.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-600.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.22	kJ/mol	Joback Calculated Property
ΔvapH°	134.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	5.951		Crippen Calculated Property
McVol	310.730	ml/mol	McGowan Calculated Property
Pc	1573.45	kPa	Joback Calculated Property
Inp	[3363.00; 3363.00]
Inp	3363.00		NIST
Inp	3363.00		NIST
Tboil	736.11	K	Relay (1.0) Calculated Property
Tc	1023.70	K	Relay (1.0) Calculated Property
Tfus	323.15	K	Relay (1.0) Calculated Property
Vc	1.123	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.11; 982.21]	J/mol×K	[1050.95; 1300.10]
Cp,gas	951.11	J/mol×K	1050.95	Joback Calculated Property
Cp,gas	960.19	J/mol×K	1092.48	Joback Calculated Property
Cp,gas	967.64	J/mol×K	1134.00	Joback Calculated Property
Cp,gas	973.51	J/mol×K	1175.53	Joback Calculated Property
Cp,gas	977.86	J/mol×K	1217.05	Joback Calculated Property
Cp,gas	980.74	J/mol×K	1258.58	Joback Calculated Property
Cp,gas	982.21	J/mol×K	1300.10	Joback Calculated Property
η	[0.0000212; 0.0001599]	Pa×s	[661.01; 1050.95]
η	0.0001599	Pa×s	661.01	Joback Calculated Property
η	0.0000982	Pa×s	726.00	Joback Calculated Property
η	0.0000654	Pa×s	790.99	Joback Calculated Property
η	0.0000463	Pa×s	855.98	Joback Calculated Property
η	0.0000344	Pa×s	920.97	Joback Calculated Property
η	0.0000266	Pa×s	985.96	Joback Calculated Property
η	0.0000212	Pa×s	1050.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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