Chemical Properties of dibenzyl carbonate (CAS 3459-92-5)

InChI

InChI=1S/C15H14O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

PIZLBWGMERQCOC-UHFFFAOYSA-N

Formula

C15H14O3

SMILES

O=C(OCc1ccccc1)OCc1ccccc1

Molecular Weight¹

242.27

CAS

3459-92-5

• 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).
• P_vap : Vapor pressure (kPa).
• 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

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
Pvap	[3.60e-04; 5.22e-03]	kPa	[341.70; 373.60]
Pvap	3.60e-04	kPa	341.70	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	4.90e-04	kPa	344.80	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	4.90e-04	kPa	345.00	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	5.80e-04	kPa	346.70	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	6.80e-04	kPa	349.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	6.90e-04	kPa	349.20	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	8.30e-04	kPa	351.20	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	1.03e-03	kPa	353.80	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	1.04e-03	kPa	354.20	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	1.29e-03	kPa	356.40	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	1.68e-03	kPa	359.20	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	1.73e-03	kPa	359.30	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	1.91e-03	kPa	361.50	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	2.20e-03	kPa	362.70	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	2.57e-03	kPa	364.30	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	3.27e-03	kPa	367.50	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	4.00e-03	kPa	369.60	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	3.99e-03	kPa	369.60	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	4.58e-03	kPa	371.60	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	5.22e-03	kPa	373.60	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.92; 582.75]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.76480e+01
Coefficient B			1.15300e+00
Coefficient C			-6.49000e-04
Coefficient D			1.06400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.92	J/mol×K	273.00	Calculated Property
Cp,gas	303.74	J/mol×K	353.78	Calculated Property
Cp,gas	359.57	J/mol×K	434.56	Calculated Property
Cp,gas	408.74	J/mol×K	515.33	Calculated Property
Cp,gas	451.59	J/mol×K	596.11	Calculated Property
Cp,gas	488.45	J/mol×K	676.89	Calculated Property
Cp,gas	519.66	J/mol×K	757.67	Calculated Property
Cp,gas	545.55	J/mol×K	838.44	Calculated Property
Cp,gas	566.47	J/mol×K	919.22	Calculated Property
Cp,gas	582.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014440; 0.0001183]	Pa×s	[376.21; 636.49]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.26579e+01
Coefficient B			2.30149e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			376.21
Temperature range, max.			636.49
η	0.0014440	Pa×s	376.21	Calculated Property
η	0.0009330	Pa×s	405.13	Calculated Property
η	0.0006390	Pa×s	434.05	Calculated Property
η	0.0004589	Pa×s	462.97	Calculated Property
η	0.0003426	Pa×s	491.89	Calculated Property
η	0.0002642	Pa×s	520.81	Calculated Property
η	0.0002094	Pa×s	549.73	Calculated Property
η	0.0001699	Pa×s	578.65	Calculated Property
η	0.0001406	Pa×s	607.57	Calculated Property
η	0.0001183	Pa×s	636.49	Calculated Property

Similar Compounds

Find more compounds similar to dibenzyl carbonate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
• Joback Method
• McGowan Method
• NIST Webbook

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