Chemical Properties of 1,2-Benzenedicarboxylic acid, diphenyl ester (CAS 84-62-8)

InChI

InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H

InChI Key

DWNAQMUDCDVSLT-UHFFFAOYSA-N

Formula

C20H14O4

SMILES

O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1

Molecular Weight¹

318.32

CAS

84-62-8

Other Names

• Phthalic acid, diphenyl ester
• Diphenyl phthalate
• Phenyl phthalate

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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
ΔcH°solid	-9381.80 ± 9.20	kJ/mol	NIST
ΔfH°gas	-338.44	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-489.20 ± 9.20	kJ/mol	NIST
ΔfusH°	38.03	kJ/mol	Joback Calculated Property
ΔvapH°	110.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-5.23		Relay (1.0) Calculated Property
logPoct/wat	4.125		Crippen Calculated Property
McVol	236.260	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[2500.00; 2550.00]
Inp	2550.00		NIST
Inp	2550.00		NIST
Inp	2500.00		NIST
Inp	2550.00		NIST
Tboil	668.54	K	Relay (1.0) Calculated Property
Tc	990.28	K	Relay (1.0) Calculated Property
Tfus	369.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[673.62; 725.04]	J/mol×K	[858.66; 1113.87]
Cp,gas	673.62	J/mol×K	858.66	Joback Calculated Property
Cp,gas	686.08	J/mol×K	901.19	Joback Calculated Property
Cp,gas	696.88	J/mol×K	943.73	Joback Calculated Property
Cp,gas	706.10	J/mol×K	986.26	Joback Calculated Property
Cp,gas	713.81	J/mol×K	1028.80	Joback Calculated Property
Cp,gas	720.10	J/mol×K	1071.33	Joback Calculated Property
Cp,gas	725.04	J/mol×K	1113.87	Joback Calculated Property
η	[0.0000440; 0.0006091]	Pa×s	[491.60; 858.66]
η	0.0006091	Pa×s	491.60	Joback Calculated Property
η	0.0003085	Pa×s	552.78	Joback Calculated Property
η	0.0001789	Pa×s	613.95	Joback Calculated Property
η	0.0001145	Pa×s	675.13	Joback Calculated Property
η	0.0000790	Pa×s	736.31	Joback Calculated Property
η	0.0000576	Pa×s	797.48	Joback Calculated Property
η	0.0000440	Pa×s	858.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid, diphenyl 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.
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