- InChI
- InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
- InChI Key
- YFKBXYGUSOXJGS-UHFFFAOYSA-N
- Formula
- C15H14O
- SMILES
- O=C(Cc1ccccc1)Cc1ccccc1
- Molecular Weight1
- 210.27
- CAS
- 102-04-5
- Other Names
-
- «alpha»,«alpha»'-Diphenylacetone
- Benzyl ketone
- Dibenzyl ketone
- 1,3-Diphenyl-2-propanone
- 1,3-Diphenylacetone
- 1,3-Diphenylpropanone
- 1,3-Diphenyl-propan-2-one
- NSC 220312
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5054 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7819.50 ± 2.50 | kJ/mol | NIST |
| ΔfG° | 171.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 29.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -84.00 ± 2.60 | kJ/mol | NIST |
| ΔfusH° | 24.29 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 89.10 | kJ/mol | NIST |
| ΔvapH° | 79.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 ± 0.10 | eV | NIST |
| log10WS | -3.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.041 | Crippen Calculated Property | |
| McVol | 176.260 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | 173.60 | NIST | |
| Tboil | 604.20 | K | NIST |
| Tc | 845.09 | K | Relay (1.0) Calculated Property |
| Tfus | 308.00 ± 1.00 | K | NIST |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [20.20; 20.20] | kJ/mol | [307.20; 307.20] | 
|
| ΔfusH | 20.20 | kJ/mol | 307.20 | NIST |
| ΔfusH | 20.20 | kJ/mol | 307.20 | NIST |
| ΔvapH | 65.70 | kJ/mol | 501.00 | NIST |
| ΔfusS | 65.78 | J/mol×K | 307.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.10; 545.16] | 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 | -7.11980e+01 | |||
| Coefficient B | 1.24300e+00 | |||
| Coefficient C | -8.35900e-04 | |||
| Coefficient D | 2.09260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 328.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 417.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 452.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 481.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 506.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 545.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055853; 0.0001964] | Pa×s | [308.00; 624.06] |
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 | -1.17976e+01 | |||
| Coefficient B | 2.03587e+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. | 308.00 | |||
| Temperature range, max. | 624.06 | |||
| η | 0.0055853 | Pa×s | 308.00 | Calculated Property |
| η | 0.0028395 | Pa×s | 343.12 | Calculated Property |
| η | 0.0016368 | Pa×s | 378.24 | Calculated Property |
| η | 0.0010361 | Pa×s | 413.35 | Calculated Property |
| η | 0.0007045 | Pa×s | 448.47 | Calculated Property |
| η | 0.0005067 | Pa×s | 483.59 | Calculated Property |
| η | 0.0003810 | Pa×s | 518.71 | Calculated Property |
| η | 0.0002971 | Pa×s | 553.82 | Calculated Property |
| η | 0.0002386 | Pa×s | 588.94 | Calculated Property |
| η | 0.0001964 | Pa×s | 624.06 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.75] | kPa | [398.70; 603.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61577e+01 | |||
| Coefficient B | -6.49382e+03 | |||
| Coefficient C | -4.12240e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 398.70 | |||
| Temperature range, max. | 603.70 | |||
| Pvap | 0.13 | kPa | 398.70 | Calculated Property |
| Pvap | 0.40 | kPa | 421.48 | Calculated Property |
| Pvap | 1.05 | kPa | 444.26 | Calculated Property |
| Pvap | 2.48 | kPa | 467.03 | Calculated Property |
| Pvap | 5.37 | kPa | 489.81 | Calculated Property |
| Pvap | 10.82 | kPa | 512.59 | Calculated Property |
| Pvap | 20.41 | kPa | 535.37 | Calculated Property |
| Pvap | 36.42 | kPa | 558.14 | Calculated Property |
| Pvap | 61.89 | kPa | 580.92 | Calculated Property |
| Pvap | 100.75 | kPa | 603.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,3-diphenyl-.
Sources
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