Chemical Properties of Diphenyl carbonate (CAS 102-09-0)

InChI

InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H

InChI Key

ROORDVPLFPIABK-UHFFFAOYSA-N

Formula

C13H10O3

SMILES

O=C(Oc1ccccc1)Oc1ccccc1

Molecular Weight¹

214.22

CAS

102-09-0

Other Names

• Carbonic acid, diphenyl ester
• Phenol carbonate
• Phenyl carbonate

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_fus(P) : Melting point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6163		ChemSep v8.3 pure component data Compiled value
ΔcH°solid	-6143.60 ± 1.90	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-157.02	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[-314.95; -311.00]	kJ/mol
ΔfH°gas	-314.95	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-311.00 ± 8.80	kJ/mol	NIST
ΔfH°solid	-401.40 ± 1.90	kJ/mol	NIST
ΔfusH°	23.07	kJ/mol	Joback Calculated Property
ΔsubH°	[90.00; 90.00]	kJ/mol
ΔsubH°	90.00 ± 8.40	kJ/mol	NIST
ΔsubH°	90.00 ± 8.40	kJ/mol	NIST
ΔsubH°	90.00 ± 8.40	kJ/mol	NIST
ΔsubH°	90.00 ± 8.40	kJ/mol	NIST
ΔvapH°	80.90 ± 0.60	kJ/mol	NIST
IE	9.01 ± 0.05	eV	NIST
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	3.264		Crippen Calculated Property
McVol	159.820	ml/mol	McGowan Calculated Property
Pc	2796.49	kPa	ChemSep v8.3 pure component data Compiled value
S°solid,1 bar	278.40	J/mol×K	NIST
Tboil	[572.99; 579.20]	K
Tboil	572.99	K	ChemSep v8.3 pure component data Compiled value
Tboil	574.70	K	NIST
Tboil	579.20	K	NIST
Tc	795.10	K	ChemSep v8.3 pure component data Compiled value
Tfus	[352.15; 355.95]	K
Tfus	353.96	K	Solid-liquid equilibria and the physical properties of binary systems of diphenyl carbonate, dimethyl carbonate, methyl phenyl carbonate, anisole, methanol and phenol
Tfus	353.96	K	Solid-Liquid Equilibria in Three Binary Mixtures Containing Diphenyl Carbonate
Tfus	355.95	K	Solubility of Diphenyl Carbonate in Pure Alcohols from (283 to 333) K
Tfus	352.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	352.15	K	ChemSep v8.3 pure component data Compiled value
UQi	5.63		ChemSep v8.3 pure component data Compiled value
URi	7.62		ChemSep v8.3 pure component data Compiled value
Vc	0.597	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2511450		ChemSep v8.3 pure component data Compiled value
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	263.13	J/mol×K	298.15	NIST
ΔfusH	[23.43; 23.43]	kJ/mol	[355.00; 355.00]
ΔfusH	23.43	kJ/mol	355.00	NIST
ΔfusH	23.43	kJ/mol	355.00	NIST
Psub	[2.14e-05; 1.07e-03]	kPa	[302.18; 332.24]
Psub	2.14e-05	kPa	302.18	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.22e-05	kPa	302.18	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.20e-05	kPa	302.18	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.28e-05	kPa	302.18	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.27e-05	kPa	302.18	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.27e-05	kPa	302.18	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.22e-05	kPa	302.18	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.17e-05	kPa	308.17	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.01e-05	kPa	308.17	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.00e-05	kPa	308.17	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.17e-05	kPa	308.17	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.01e-05	kPa	308.17	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.05e-05	kPa	308.17	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.09e-05	kPa	308.17	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.13e-04	kPa	314.32	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.13e-04	kPa	314.32	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.14e-04	kPa	314.32	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.16e-04	kPa	314.32	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.16e-04	kPa	314.32	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.15e-04	kPa	314.32	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.14e-04	kPa	314.32	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.40e-04	kPa	320.25	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.42e-04	kPa	320.25	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.39e-04	kPa	320.25	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.50e-04	kPa	320.25	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.46e-04	kPa	320.25	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.47e-04	kPa	320.25	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	2.42e-04	kPa	320.25	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.05e-04	kPa	326.23	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.08e-04	kPa	326.23	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	4.99e-04	kPa	326.23	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.18e-04	kPa	326.23	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.12e-04	kPa	326.23	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.17e-04	kPa	326.23	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	5.07e-04	kPa	326.23	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.04e-03	kPa	332.24	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.04e-03	kPa	332.24	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	9.92e-04	kPa	332.24	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.06e-03	kPa	332.24	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.03e-03	kPa	332.24	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
Psub	1.07e-03	kPa	332.24	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
ρl	1113.14	kg/m3	358.15	Liquid Liquid Equilibria for Ternary Mixtures of Methylphenyl Carbonate, Dimethyl Carbonate, Diphenyl Carbonate, Anisole, Methanol, Phenol, and Water at Several Temperatures

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.25; 551.18]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.82848e+01
Coefficient B			-5.00000e+02
Coefficient C			6.44898e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	187.25	J/mol×K	255.00	Calculated Property
Cp,gas	275.58	J/mol×K	393.33	Calculated Property
Cp,gas	345.08	J/mol×K	531.67	Calculated Property
Cp,gas	397.97	J/mol×K	670.00	Calculated Property
Cp,gas	438.79	J/mol×K	808.33	Calculated Property
Cp,gas	471.00	J/mol×K	946.67	Calculated Property
Cp,gas	496.96	J/mol×K	1085.00	Calculated Property
Cp,gas	518.29	J/mol×K	1223.33	Calculated Property
Cp,gas	536.10	J/mol×K	1361.67	Calculated Property
Cp,gas	551.18	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[134.72; 323.18]	J/mol×K	[362.54; 760.55]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			-1.64883e+02
Coefficient B			9.94641e-01
Coefficient C			-4.64037e-04
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			362.54
Temperature range, max.			760.55
Cp,liquid	134.72	J/mol×K	362.54	Calculated Property
Cp,liquid	162.92	J/mol×K	406.76	Calculated Property
Cp,liquid	189.31	J/mol×K	450.99	Calculated Property
Cp,liquid	213.88	J/mol×K	495.21	Calculated Property
Cp,liquid	236.63	J/mol×K	539.43	Calculated Property
Cp,liquid	257.57	J/mol×K	583.66	Calculated Property
Cp,liquid	276.69	J/mol×K	627.88	Calculated Property
Cp,liquid	294.00	J/mol×K	672.11	Calculated Property
Cp,liquid	309.50	J/mol×K	716.33	Calculated Property
Cp,liquid	323.18	J/mol×K	760.55	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[5.9388810; 4.1990126e-13]	Pa×s	[311.00; 760.55]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.94466e+01
Coefficient B			1.59319e+04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			311.00
Temperature range, max.			760.55
η	5.9388810	Pa×s	311.00	Calculated Property
η	0.0049532	Pa×s	360.95	Calculated Property
η	0.0000232	Pa×s	410.90	Calculated Property
η	0.0000003	Pa×s	460.85	Calculated Property
η	1.1784172e-08	Pa×s	510.80	Calculated Property
η	7.3229187e-10	Pa×s	560.75	Calculated Property
η	7.1688859e-11	Pa×s	610.70	Calculated Property
η	9.9731097e-12	Pa×s	660.65	Calculated Property
η	1.8307896e-12	Pa×s	710.60	Calculated Property
η	4.1990126e-13	Pa×s	760.55	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[68.14; 0.00]	kJ/mol	[401.09; 795.10]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			8.89736e+01
Coefficient B			3.80000e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.95103e+02
Comment			Range stopped at Tc; ChemSep gives it to 799.32 K.
Temperature range, min.			401.09
Temperature range, max.			795.10
ΔvapH	68.14	kJ/mol	401.09	Calculated Property
ΔvapH	65.16	kJ/mol	444.87	Calculated Property
ΔvapH	61.93	kJ/mol	488.65	Calculated Property
ΔvapH	58.41	kJ/mol	532.43	Calculated Property
ΔvapH	54.50	kJ/mol	576.21	Calculated Property
ΔvapH	50.07	kJ/mol	619.99	Calculated Property
ΔvapH	44.88	kJ/mol	663.77	Calculated Property
ΔvapH	38.47	kJ/mol	707.55	Calculated Property
ΔvapH	29.57	kJ/mol	751.32	Calculated Property
ΔvapH	0.00	kJ/mol	795.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.16e-04; 2803.53]	kPa	[273.00; 795.10]	ChemSep v8.3 pure component data Compiled value
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65040e+01
Coefficient B			-6.81036e+03
Coefficient C			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			795.10
Pvap	2.16e-04	kPa	273.00	Calculated Property
Pvap	0.02	kPa	331.01	Calculated Property
Pvap	0.37	kPa	389.02	Calculated Property
Pvap	3.56	kPa	447.03	Calculated Property
Pvap	20.48	kPa	505.05	Calculated Property
Pvap	82.16	kPa	563.06	Calculated Property
Pvap	254.29	kPa	621.07	Calculated Property
Pvap	648.86	kPa	679.08	Calculated Property
Pvap	1428.69	kPa	737.09	Calculated Property
Pvap	2803.53	kPa	795.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.03]	W/m×K	[473.15; 643.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λgas in W/m×K, T in K
Coefficient A			-5.06874e-02
Coefficient B			2.02510e-04
Coefficient C			-1.15686e-07
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			473.15
Temperature range, max.			643.15
λgas	0.02	W/m×K	473.15	Calculated Property
λgas	0.02	W/m×K	492.04	Calculated Property
λgas	0.02	W/m×K	510.93	Calculated Property
λgas	0.02	W/m×K	529.82	Calculated Property
λgas	0.03	W/m×K	548.71	Calculated Property
λgas	0.03	W/m×K	567.59	Calculated Property
λgas	0.03	W/m×K	586.48	Calculated Property
λgas	0.03	W/m×K	605.37	Calculated Property
λgas	0.03	W/m×K	624.26	Calculated Property
λgas	0.03	W/m×K	643.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.15; 0.10]	W/m×K	[253.15; 423.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K
Coefficient A			1.01839e-01
Coefficient B			5.18198e-04
Coefficient C			-1.23041e-06
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			253.15
Temperature range, max.			423.15
λliquid	0.15	W/m×K	253.15	Calculated Property
λliquid	0.15	W/m×K	272.04	Calculated Property
λliquid	0.15	W/m×K	290.93	Calculated Property
λliquid	0.14	W/m×K	309.82	Calculated Property
λliquid	0.14	W/m×K	328.71	Calculated Property
λliquid	0.13	W/m×K	347.59	Calculated Property
λliquid	0.13	W/m×K	366.48	Calculated Property
λliquid	0.12	W/m×K	385.37	Calculated Property
λliquid	0.11	W/m×K	404.26	Calculated Property
λliquid	0.10	W/m×K	423.15	Calculated Property

Similar Compounds

Find more compounds similar to Diphenyl carbonate.

Mixtures

• Carbonic acid, dimethyl ester + Diphenyl carbonate
• Ethanol + Diphenyl carbonate
• 1-Propanol + Diphenyl carbonate
• 2-Propanol + Diphenyl carbonate
• Diethyl carbonate + Diphenyl carbonate
• Diphenyl carbonate + Carbonic acid, dipropyl ester
• Diphenyl carbonate + Ethyl Acetate
• Acetic acid, phenyl ester + Diphenyl carbonate
• Diphenyl carbonate + Methyl Alcohol
• Carbonic acid, methyl phenyl ester + Diphenyl carbonate
• Carbonic acid, dimethyl ester + Diphenyl carbonate + Water
• Diphenyl carbonate + Phenol + Water
• 1-Butanol + Diphenyl carbonate
• 1-Propanol, 2-methyl- + Diphenyl carbonate
• Diphenyl carbonate + Phenol
• Carbonic acid, methyl phenyl ester + Diphenyl carbonate + Water
• 2-Butanol + Diphenyl carbonate

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Liquid-liquid equilibria of ternary mixtures of dimethyl carbonate, diphenyl carbonate, phenol and water at 358.15 K
• Solid-liquid equilibria and the physical properties of binary systems of diphenyl carbonate, dimethyl carbonate, methyl phenyl carbonate, anisole, methanol and phenol
• Solid-liquid equilibria for selected binary systems containing diphenyl carbonate
• Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
• Isothermal (vapour + liquid) equilibrium (VLE) for binary mixtures containing diethyl carbonate, phenyl acetate, diphenyl carbonate, or ethyl acetate
• Solid-Liquid Equilibria in Three Binary Mixtures Containing Diphenyl Carbonate
• Liquid Liquid Equilibria for Ternary Mixtures of Methylphenyl Carbonate, Dimethyl Carbonate, Diphenyl Carbonate, Anisole, Methanol, Phenol, and Water at Several Temperatures
• Solubility of Diphenyl Carbonate in Pure Alcohols from (283 to 333) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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