- 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
- Adjutan 6016
- Benzene, benzoyl-
- Cinnarizine M (benzophenone)
- Cyclizine M (Benzophenone)
- DIPHENYL METHANONE
- Diphenyl-methanon
- Diphenylmethanone
- Kayacure BP
- Ketone, diphenyl
- Methanone, diphenyl-
- NSC 8077
- Phenyl ketone
- alpha-Oxodiphenylmethane
- alpha-Oxoditane
- benzoylbenzene
- diphenyl ketone
- «alpha»-Oxodiphenylmethane
- «alpha»-Oxoditane
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4904 | Relay (1.0) Calculated Property | |
| 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° | 18.60 | kJ/mol | New Static Apparatus for Vapor Pressure Measurements: Reconciled Thermophysical Data for Benzophenone |
| ΔsubH° | [77.00; 95.00] | kJ/mol |
|
| ΔsubH° | 93.10 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 84.40 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 84.40 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | Outlier 77.00 ± 2.50 | kJ/mol | NIST |
| ΔsubH° | 92.00 ± 0.83 | kJ/mol | NIST |
| ΔsubH° | 94.60 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 93.30 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 93.40 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 85.40 | kJ/mol | NIST |
| ΔsubH° | 95.00 ± 2.50 | kJ/mol | NIST |
| ΔsubH° | 91.20 ± 1.60 | kJ/mol | NIST |
| 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. Solubility Prediction | |
| log10WS | -3.12 | Estimated Solubility | |
| logPoct/wat | 2.918 | Crippen Calculated Property | |
| McVol | 148.080 | ml/mol | McGowan Calculated Property |
| Pc | [3350.00; 3352.00] | kPa |
|
| Pc | 3350.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| 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 | 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 | |
| Inp | 1623.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1606.40 | NIST | |
| Ip | [2410.00; 2505.00] |
|
|
| Ip | 2443.00 | NIST | |
| Ip | 2427.00 | NIST | |
| Ip | Outlier 2505.00 | NIST | |
| Ip | 2462.00 | NIST | |
| Ip | 2470.00 | NIST | |
| Ip | 2410.00 | NIST | |
| Ip | 2457.00 | NIST | |
| Ip | 2443.00 | NIST | |
| Ip | 2427.00 | NIST | |
| Ip | 2410.00 | NIST | |
| Tboil | [399.00; 579.25] | K |
|
| Tboil | 578.97 | K | KDB |
| Tboil | 579.10 | K | NIST |
| Tboil | 578.50 | K | NIST |
| Tboil | Outlier 399.00 ± 2.00 | K | NIST |
| Tboil | 579.25 ± 0.07 | K | NIST |
| Tboil | 550.65 ± 10.00 | K | NIST |
| Tboil | 578.15 ± 2.00 | K | NIST |
| Tboil | 579.25 ± 1.00 | K | NIST |
| Tc | [830.00; 830.00] | K |
|
| Tc | 830.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 830.00 ± 2.00 | K | NIST |
| Tfus | [299.65; 322.00] | K |
|
| Tfus | 321.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 321.15 | K | KDB |
| Tfus | 321.43 | K | Aq. Solubility Prediction |
| Tfus | 320.20 ± 0.40 | K | NIST |
| Tfus | 321.80 ± 0.20 | K | NIST |
| Tfus | 321.95 ± 0.50 | K | NIST |
| Tfus | 321.35 ± 0.40 | K | NIST |
| Tfus | 322.00 ± 1.50 | K | NIST |
| Tfus | 321.10 ± 0.02 | K | NIST |
| Tfus | 321.60 ± 1.50 | K | NIST |
| Tfus | 321.15 ± 1.50 | K | NIST |
| Tfus | 321.15 ± 0.50 | K | NIST |
| Tfus | 321.08 ± 0.05 | K | NIST |
| Tfus | 321.00 ± 0.50 | K | NIST |
| Tfus | 320.85 ± 0.50 | K | NIST |
| Tfus | 321.00 ± 0.15 | K | NIST |
| Tfus | 321.00 ± 1.50 | K | NIST |
| Tfus | 320.99 ± 0.20 | K | NIST |
| Tfus | 321.01 ± 0.20 | K | NIST |
| Tfus | 320.90 ± 0.60 | K | NIST |
| Tfus | 321.65 ± 1.00 | K | NIST |
| Tfus | Outlier 299.65 ± 1.00 | K | NIST |
| Tfus | 321.40 ± 0.60 | K | NIST |
| Tfus | 321.25 ± 0.40 | K | NIST |
| Tfus | 321.40 ± 0.25 | K | NIST |
| Tfus | 321.15 ± 0.50 | K | NIST |
| Tfus | 321.20 ± 1.00 | K | NIST |
| Ttriple | [321.03; 323.40] | K |
|
| Ttriple | 323.40 | K | Determination of Solubility and Thermodynamic Properties of Benzophenone in Different Pure Solvents |
| Ttriple | 321.03 ± 0.02 | K | NIST |
| Vc | 0.568 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Zc | 0.2760000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
Temperature Dependent Properties
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 |
|---|---|---|---|---|
| Cp,gas | [167.67; 441.98] | 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 | -6.93800e+01 | |||
| Coefficient B | 1.05300e+00 | |||
| Coefficient C | -7.27100e-04 | |||
| Coefficient D | 1.85460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 266.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 305.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 339.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 367.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 391.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 411.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 428.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030542; 0.0002334] | Pa×s | [321.23; 581.00] |
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 | -1.15428e+01 | |||
| Coefficient B | 1.84755e+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. | 321.23 | |||
| Temperature range, max. | 581.00 | |||
| η | 0.0030542 | Pa×s | 321.23 | Calculated Property |
| η | 0.0019009 | Pa×s | 350.09 | Calculated Property |
| η | 0.0012717 | Pa×s | 378.95 | Calculated Property |
| η | 0.0009006 | Pa×s | 407.82 | Calculated Property |
| η | 0.0006676 | Pa×s | 436.68 | Calculated Property |
| η | 0.0005135 | Pa×s | 465.55 | Calculated Property |
| η | 0.0004073 | Pa×s | 494.41 | Calculated Property |
| η | 0.0003315 | Pa×s | 523.27 | Calculated Property |
| η | 0.0002756 | Pa×s | 552.14 | Calculated Property |
| η | 0.0002334 | Pa×s | 581.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [429.53; 613.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | |||
| 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 |
| Pvap | [6.27; 101.52] | kPa | [473.70; 579.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46499e+01 | |||
| Coefficient B | -4.87313e+03 | |||
| Coefficient C | -9.34300e+01 | |||
| Reference | Dreisbach and Shrader, 1949 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 473.70 | |||
| Temperature range, max. | 579.30 | |||
| Pvap | 6.27 | kPa | 473.70 | Calculated Property |
| Pvap | 9.19 | kPa | 485.43 | Calculated Property |
| Pvap | 13.20 | kPa | 497.17 | Calculated Property |
| Pvap | 18.55 | kPa | 508.90 | Calculated Property |
| Pvap | 25.61 | kPa | 520.63 | Calculated Property |
| Pvap | 34.74 | kPa | 532.37 | Calculated Property |
| Pvap | 46.38 | kPa | 544.10 | Calculated Property |
| Pvap | 61.02 | kPa | 555.83 | Calculated Property |
| Pvap | 79.20 | kPa | 567.57 | Calculated Property |
| Pvap | 101.52 | kPa | 579.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.01] | N/m | [321.15; 578.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 7.71213e-02 | |||
| Coefficient B | -1.12800e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 321.15 | |||
| Temperature range, max. | 578.15 | |||
| γ | 0.04 | N/m | 321.15 | Calculated Property |
| γ | 0.04 | N/m | 349.71 | Calculated Property |
| γ | 0.03 | N/m | 378.26 | Calculated Property |
| γ | 0.03 | N/m | 406.82 | Calculated Property |
| γ | 0.03 | N/m | 435.37 | Calculated Property |
| γ | 0.02 | N/m | 463.93 | Calculated Property |
| γ | 0.02 | N/m | 492.48 | Calculated Property |
| γ | 0.02 | N/m | 521.04 | Calculated Property |
| γ | 0.02 | N/m | 549.59 | Calculated Property |
| γ | 0.01 | N/m | 578.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzophenone.
Mixtures
- Dodecane + Benzophenone
- Benzophenone + Carbon Tetrachloride
- Decane + Benzophenone
- Benzophenone + Nonane
- Octane + Benzophenone
- Benzophenone + Heptane
- n-Hexane + Benzophenone
- Dodecane + Benzophenone + Carbon Tetrachloride
- Decane + Benzophenone + Carbon Tetrachloride
- Benzophenone + Carbon Tetrachloride + Nonane
- Octane + Benzophenone + Carbon Tetrachloride
- Benzophenone + Heptane + Carbon Tetrachloride
- n-Hexane + Benzophenone + Carbon Tetrachloride
- Benzophenone + Water
- 1-Propanol, 2-methyl- + Benzophenone
- Ethanol + Benzophenone
- 1-Octanol + Benzophenone
- Benzophenone + Methyl Alcohol
- Acetonitrile + Benzophenone
- 1-Propanol + Benzophenone
Find more mixtures with Benzophenone.
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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
- Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
- Determination of sublimation enthalpies of substituted benzophenones, fluorenes and diphenyl ethers by solution calorimetry approach
- 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
- New Static Apparatus for Vapor Pressure Measurements: Reconciled Thermophysical Data for Benzophenone
- Determination of Solubility and Thermodynamic Properties of Benzophenone in Different Pure Solvents
- Solubility of Benzophenone in Binary Alkane + Carbon Tetrachloride Solvent Mixtures
- New Static Apparatus and Vapor Pressure of Reference Materials: Naphthalene, Benzoic Acid, Benzophenone, and Ferrocene
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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