Chemical Properties of Benzophenone (CAS 119-61-9)

InChI

InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI Key

RWCCWEUUXYIKHB-UHFFFAOYSA-N

Formula

C13H10O

SMILES

O=C(c1ccccc1)c1ccccc1

Molecular Weight¹

182.22

CAS

119-61-9

Other Names

• 1-Benzophenone
• ALPHA-OXODIPHENYLMETHANE
• Adjutan 6016
• Benzene, benzoyl-
• Benzoylbenzene
• Cinnarizine M (benzophenone)
• Cyclizine M (Benzophenone)
• DIPHENYL METHANONE
• Diphenyl ketone
• Diphenyl-methanon
• Diphenylmethanone
• Kayacure BP
• Ketone, diphenyl
• Methanone, diphenyl-
• NSC 8077
• PHENYL KETONE
• alpha-Oxoditane
• «alpha»-Oxodiphenylmethane
• «alpha»-Oxoditane
• «alpha»-Oxodiphenylmethane
• «alpha»-Oxoditane

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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 a given temperature (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_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	882.30	kJ/mol	NIST
BasG	852.50	kJ/mol	NIST
ΔcH°solid	[-6512.40; -6498.00]	kJ/mol
ΔcH°solid	-6510.30 ± 2.10	kJ/mol	NIST
ΔcH°solid	-6510.00 ± 2.00	kJ/mol	NIST
ΔcH°solid	-6512.00	kJ/mol	NIST
ΔcH°solid	-6512.40 ± 3.20	kJ/mol	NIST
ΔcH°solid	-6504.00	kJ/mol	NIST
ΔcH°solid	-6498.00	kJ/mol	NIST
EA	[0.62; 1.11]	eV
EA	0.62 ± 0.10	eV	NIST
EA	1.11 ± 0.04	eV	NIST
EA	0.66 ± 0.09	eV	NIST
EA	0.69 ± 0.05	eV	NIST
EA	0.64 ± 0.05	eV	NIST
ΔfG°	154.48	kJ/mol	Joback Calculated Property
ΔfH°gas	49.90 ± 3.00	kJ/mol	NIST
ΔfH°solid	[-50.84; -32.30]	kJ/mol
ΔfH°solid	-34.00	kJ/mol	NIST
ΔfH°solid	-33.00	kJ/mol	NIST
ΔfH°solid	-32.30 ± 3.30	kJ/mol	NIST
ΔfH°solid	-50.84	kJ/mol	NIST
ΔfusH°	19.11	kJ/mol	Joback Calculated Property
ΔvapH°	94.98	kJ/mol	NIST
IE	[9.05; 9.50]	eV
IE	9.08 ± 0.04	eV	NIST
IE	9.40 ± 0.10	eV	NIST
IE	9.28	eV	NIST
IE	9.50 ± 0.10	eV	NIST
IE	9.50 ± 0.10	eV	NIST
IE	9.46	eV	NIST
IE	9.14 ± 0.03	eV	NIST
IE	9.46 ± 0.05	eV	NIST
IE	9.35 ± 0.04	eV	NIST
IE	9.40	eV	NIST
IE	9.05 ± 0.05	eV	NIST
IE	9.05	eV	NIST
log10WS	[-3.12; -3.12]
log10WS	-3.12		Aq. Sol...
log10WS	-3.12		Estimat...
logPoct/wat	2.918		Crippen Calculated Property
McVol	148.080	ml/mol	McGowan Calculated Property
Pc	3352.00 ± 4.00	kPa	NIST
ρc	321.07 ± 3.64	kg/m3	NIST
Inp	[1572.00; 1664.00]
Inp	1606.40		NIST
Inp	1625.00		NIST
Inp	1664.00		NIST
Inp	1611.00		NIST
Inp	1621.00		NIST
Inp	1621.00		NIST
Inp	1644.00		NIST
Inp	1610.40		NIST
Inp	1621.00		NIST
Inp	1611.00		NIST
Inp	1623.00		NIST
Inp	1636.00		NIST
Inp	1637.00		NIST
Inp	1635.00		NIST
Inp	1634.00		NIST
Inp	1631.00		NIST
Inp	1644.00		NIST
Inp	1660.00		NIST
Inp	1585.00		NIST
Inp	1592.00		NIST
Inp	1655.00		NIST
Inp	1635.10		NIST
Inp	1628.00		NIST
Inp	Outlier 1573.00		NIST
Inp	1576.00		NIST
Inp	1577.00		NIST
Inp	1612.00		NIST
Inp	1612.00		NIST
Inp	Outlier 1572.00		NIST
Inp	1610.00		NIST
Inp	1610.00		NIST
Inp	1640.00		NIST
Inp	1627.00		NIST
Inp	1645.00		NIST
Inp	1628.00		NIST
Inp	1612.00		NIST
Inp	1635.00		NIST
Inp	1644.00		NIST
Inp	1604.00		NIST
Inp	1655.00		NIST
Inp	1590.00		NIST
Inp	1594.00		NIST
Inp	1603.00		NIST
Inp	1603.00		NIST
Inp	1610.00		NIST
Inp	1610.00		NIST
I	[2410.00; 2505.00]
I	2443.00		NIST
I	2427.00		NIST
I	2505.00		NIST
I	2462.00		NIST
I	2470.00		NIST
I	2410.00		NIST
I	2457.00		NIST
I	2427.00		NIST
Tboil	578.97	K	KDB
Tc	830.00 ± 2.00	K	NIST
Tfus	[321.15; 321.43]	K
Tfus	321.15	K	KDB
Tfus	321.43	K	Aq. Sol...
Ttriple	[321.03; 323.40]	K
Ttriple	323.40	K	Determi...
Ttriple	321.03 ± 0.02	K	NIST
Vc	0.553	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.27; 415.64]	J/mol×K	[604.07; 856.45]
T(K) Ideal gas heat capacity (J/mol×K) 340 360 380 400 420 600 700 800
Cp,gas	342.27	J/mol×K	604.07	Joback Calculated Property
Cp,gas	357.47	J/mol×K	646.13	Joback Calculated Property
Cp,gas	371.37	J/mol×K	688.20	Joback Calculated Property
Cp,gas	384.06	J/mol×K	730.26	Joback Calculated Property
Cp,gas	395.61	J/mol×K	772.32	Joback Calculated Property
Cp,gas	406.11	J/mol×K	814.39	Joback Calculated Property
Cp,gas	415.64	J/mol×K	856.45	Joback Calculated Property
Cp,liquid	[265.30; 311.00]	J/mol×K	[245.00; 345.00]
T(K) Liquid phase heat capacity (J/mol×K) 270 280 290 300 310 250 300
Cp,liquid	265.30	J/mol×K	245.00	Applica...
Cp,liquid	269.90	J/mol×K	255.00	Applica...
Cp,liquid	274.50	J/mol×K	265.00	Applica...
Cp,liquid	279.00	J/mol×K	275.00	Applica...
Cp,liquid	283.60	J/mol×K	285.00	Applica...
Cp,liquid	288.10	J/mol×K	295.00	Applica...
Cp,liquid	292.70	J/mol×K	305.00	Applica...
Cp,liquid	297.30	J/mol×K	315.00	Applica...
Cp,liquid	301.80	J/mol×K	325.00	Applica...
Cp,liquid	306.40	J/mol×K	335.00	Applica...
Cp,liquid	311.00	J/mol×K	345.00	Applica...
Cp,solid	224.80	J/mol×K	300.00	NIST
η	[0.0002067; 0.0022577]	Pa×s	[339.04; 604.07]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 400 500 600
η	0.0022577	Pa×s	339.04	Joback Calculated Property
η	0.0012047	Pa×s	383.21	Joback Calculated Property
η	0.0007319	Pa×s	427.38	Joback Calculated Property
η	0.0004882	Pa×s	471.55	Joback Calculated Property
η	0.0003490	Pa×s	515.73	Joback Calculated Property
η	0.0002631	Pa×s	559.90	Joback Calculated Property
η	0.0002067	Pa×s	604.07	Joback Calculated Property
ΔfusH	[17.67; 18.81]	kJ/mol	[222.50; 324.20]
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 17.6 17.8 18 18.2 18.4 18.6 18.8 250 300
ΔfusH	18.81	kJ/mol	222.50	NIST
ΔfusH	18.19	kJ/mol	321.00	NIST
ΔfusH	18.19	kJ/mol	321.03	NIST
ΔfusH	17.67	kJ/mol	321.20	NIST
ΔfusH	18.47	kJ/mol	321.30	NIST
ΔfusH	18.19	kJ/mol	324.20	NIST
ΔsubH	[78.20; 96.10]	kJ/mol	[302.50; 321.00]
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 80 85 90 95 305 310 315 320
ΔsubH	78.20 ± 1.20	kJ/mol	302.50	NIST
ΔsubH	95.00 ± 0.20	kJ/mol	304.00	NIST
ΔsubH	95.00 ± 1.50	kJ/mol	305.50	NIST
ΔsubH	92.90 ± 0.80	kJ/mol	306.00	NIST
ΔsubH	96.10	kJ/mol	306.00	NIST
ΔsubH	93.90 ± 0.50	kJ/mol	307.00	NIST
ΔsubH	89.96	kJ/mol	308.00	NIST
ΔsubH	78.20 ± 0.80	kJ/mol	313.00	NIST
ΔsubH	95.00 ± 1.00	kJ/mol	321.00	NIST
ΔvapH	[59.00; 65.10]	kJ/mol	[526.00; 553.00]
ΔvapH	62.20	kJ/mol	526.00	NIST
ΔvapH	59.00	kJ/mol	552.50	NIST
ΔvapH	65.10	kJ/mol	553.00	NIST
Psub	[1.19e-04; 1.24e-03]	kPa	[300.37; 320.23]
T(K) Sublimation pressure (kPa) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 300 310 320
Psub	1.19e-04	kPa	300.37	Vapor p...
Psub	1.61e-04	kPa	302.88	Vapor p...
Psub	2.20e-04	kPa	305.39	Vapor p...
Psub	3.02e-04	kPa	307.90	Vapor p...
Psub	4.01e-04	kPa	310.26	Vapor p...
Psub	5.35e-04	kPa	312.75	Vapor p...
Psub	7.08e-04	kPa	315.24	Vapor p...
Psub	9.39e-04	kPa	317.73	Vapor p...
Psub	1.24e-03	kPa	320.23	Vapor p...
ΔfusS	[55.00; 56.67]	J/mol×K	[321.03; 321.20]
ΔfusS	56.67	J/mol×K	321.03	NIST
ΔfusS	55.00	J/mol×K	321.20	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[430.70; 497.00]	K	[1.30; 13.30]
Tboilr	430.70	K	1.30	NIST
Tboilr	497.00	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[429.53; 613.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56649e+01
Coefficient B			-5.82958e+03
Coefficient C			-5.04230e+01
Temperature range, min.			429.53
Temperature range, max.			613.48
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600
Pvap	1.33	kPa	429.53	Calculated Property
Pvap	2.93	kPa	449.97	Calculated Property
Pvap	5.96	kPa	470.41	Calculated Property
Pvap	11.34	kPa	490.85	Calculated Property
Pvap	20.40	kPa	511.29	Calculated Property
Pvap	34.91	kPa	531.72	Calculated Property
Pvap	57.18	kPa	552.16	Calculated Property
Pvap	90.10	kPa	572.60	Calculated Property
Pvap	137.20	kPa	593.04	Calculated Property
Pvap	202.65	kPa	613.48	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone.

Mixtures

• Benzophenone + Water
• 1-Propanol, 2-methyl- + Benzophenone
• Ethanol + Benzophenone
• 1-Octanol + Benzophenone
• Benzophenone + Methyl Alcohol
• Acetonitrile + Benzophenone
• 1-Propanol + Benzophenone
• Acetone + Benzophenone
• Isopropyl Alcohol + Benzophenone
• Benzophenone + Ethyl Acetate
• 1-Butanol + Benzophenone
• Benzophenone + Acetic acid, methyl ester
• Dodecane + Benzophenone
• Benzophenone + Carbon Tetrachloride
• Decane + Benzophenone
• Benzophenone + Nonane
• Octane + Benzophenone
• Benzophenone + Heptane
• n-Hexane + Benzophenone
• Dodecane + Benzophenone + Carbon Tetrachloride

Find more mixtures with Benzophenone.

Sources

• Crippen Method
• Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
• Application of fast scanning calorimetry to the fusion thermochemistry of low-molecular-weight organic compounds: Fast-crystallizing m-terphenyl heat capacities in a deeply supercooled liquid state
• Determination of Solubility and Thermodynamic Properties of Benzophenone in Different Pure Solvents
• Solubility of Benzophenone in Binary Alkane + Carbon Tetrachloride Solvent Mixtures
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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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