Chemical Properties of Phthalic acid, ethyl 3-phenoxybenzyl ester

InChI

InChI=1S/C23H20O5/c1-2-26-22(24)20-13-6-7-14-21(20)23(25)27-16-17-9-8-12-19(15-17)28-18-10-4-3-5-11-18/h3-15H,2,16H2,1H3

InChI Key

UAFREMQYZFWXQP-UHFFFAOYSA-N

Formula

C23H20O5

SMILES

CCOC(=O)c1ccccc1C(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

376.41

• ω : Acentric Factor.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9072		Relay (1.0) Calculated Property
ΔfH°gas	-554.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.43	kJ/mol	Joback Calculated Property
ΔvapH°	119.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	5.013		Crippen Calculated Property
McVol	284.400	ml/mol	McGowan Calculated Property
Pc	1753.60	kPa	Joback Calculated Property
Inp	[2949.00; 2949.00]
Inp	2949.00		NIST
Inp	2949.00		NIST
Tboil	711.37	K	Relay (1.0) Calculated Property
Tc	996.46	K	Relay (1.0) Calculated Property
Tfus	294.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[875.19; 916.43]	J/mol×K	[990.64; 1236.90]
Cp,gas	875.19	J/mol×K	990.64	Joback Calculated Property
Cp,gas	886.01	J/mol×K	1031.68	Joback Calculated Property
Cp,gas	895.19	J/mol×K	1072.73	Joback Calculated Property
Cp,gas	902.78	J/mol×K	1113.77	Joback Calculated Property
Cp,gas	908.82	J/mol×K	1154.81	Joback Calculated Property
Cp,gas	913.35	J/mol×K	1195.86	Joback Calculated Property
Cp,gas	916.43	J/mol×K	1236.90	Joback Calculated Property
η	[0.0000290; 0.0002170]	Pa×s	[619.82; 990.64]
η	0.0002170	Pa×s	619.82	Joback Calculated Property
η	0.0001333	Pa×s	681.62	Joback Calculated Property
η	0.0000887	Pa×s	743.43	Joback Calculated Property
η	0.0000629	Pa×s	805.23	Joback Calculated Property
η	0.0000468	Pa×s	867.03	Joback Calculated Property
η	0.0000363	Pa×s	928.84	Joback Calculated Property
η	0.0000290	Pa×s	990.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, ethyl 3-phenoxybenzyl 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.