Chemical Properties of Dibenzyl phthalate (CAS 523-31-9)

InChI

InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2

InChI Key

UCVPKAZCQPRWAY-UHFFFAOYSA-N

Formula

C22H18O4

SMILES

O=C(OCc1ccccc1)c1ccccc1C(=O)OCc1ccccc1

Molecular Weight¹

346.38

CAS

523-31-9

Other Names

• 1,2-Benzenedicarboxylic acid, bis(phenylmethyl) ester
• Benzyl phthalate
• Dibenzyl ester of 1,2-benzenedicarboxylic acid
• Phthalic acid, dibenzyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.8254		Relay (1.0) Calculated Property
ΔfH°gas	-352.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.21	kJ/mol	Joback Calculated Property
ΔvapH°	116.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	4.401		Crippen Calculated Property
McVol	264.440	ml/mol	McGowan Calculated Property
Pc	1823.17	kPa	Joback Calculated Property
Inp	[2690.00; 2690.00]
Inp	2690.00		NIST
Inp	2690.00		NIST
Inp	2690.00		NIST
Tboil	683.04	K	Relay (1.0) Calculated Property
Tc	992.17	K	Relay (1.0) Calculated Property
Tfus	313.54	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	[785.58; 837.34]	J/mol×K	[904.42; 1151.17]
Cp,gas	785.58	J/mol×K	904.42	Joback Calculated Property
Cp,gas	797.98	J/mol×K	945.54	Joback Calculated Property
Cp,gas	808.77	J/mol×K	986.67	Joback Calculated Property
Cp,gas	818.02	J/mol×K	1027.79	Joback Calculated Property
Cp,gas	825.81	J/mol×K	1068.92	Joback Calculated Property
Cp,gas	832.23	J/mol×K	1110.04	Joback Calculated Property
Cp,gas	837.34	J/mol×K	1151.17	Joback Calculated Property
η	[0.0000331; 0.0004904]	Pa×s	[514.14; 904.42]
η	0.0004904	Pa×s	514.14	Joback Calculated Property
η	0.0002432	Pa×s	579.19	Joback Calculated Property
η	0.0001390	Pa×s	644.23	Joback Calculated Property
η	0.0000880	Pa×s	709.28	Joback Calculated Property
η	0.0000602	Pa×s	774.33	Joback Calculated Property
η	0.0000436	Pa×s	839.37	Joback Calculated Property
η	0.0000331	Pa×s	904.42	Joback Calculated Property
ΔvapH	121.40	kJ/mol	479.00	NIST

Similar Compounds

Find more compounds similar to Dibenzyl phthalate.

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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