- InChI
- InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
- InChI Key
- OJUGVDODNPJEEC-UHFFFAOYSA-N
- Formula
- C8H6O2
- SMILES
- O=CC(=O)c1ccccc1
- Molecular Weight1
- 134.13
- CAS
- 1074-12-0
- Other Names
-
- Benzeneacetaldehyde, «alpha»-oxo-
- Benzoylcarboxaldehyde
- Benzoylformaldehyde
- Glyoxal, phenyl-
- Phenylethanedione
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4724 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.068 | Crippen Calculated Property | |
| McVol | 102.960 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 486.86 | K | Relay (1.0) Calculated Property |
| Tc | 755.90 | K | Relay (1.0) Calculated Property |
| Tfus | 321.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 59.70 | kJ/mol | 407.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 415.20 | K | 16.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.77; 293.33] | 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 | -1.95300e+01 | |||
| Coefficient B | 6.31400e-01 | |||
| Coefficient C | -4.16900e-04 | |||
| Coefficient D | 9.83600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 184.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 208.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 229.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 247.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 262.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 274.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 285.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 293.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029837; 0.0003383] | Pa×s | [298.27; 516.73] |
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 | -1.09642e+01 | |||
| Coefficient B | 1.53596e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 298.27 | |||
| Temperature range, max. | 516.73 | |||
| η | 0.0029837 | Pa×s | 298.27 | Calculated Property |
| η | 0.0020251 | Pa×s | 322.54 | Calculated Property |
| η | 0.0014511 | Pa×s | 346.82 | Calculated Property |
| η | 0.0010862 | Pa×s | 371.09 | Calculated Property |
| η | 0.0008424 | Pa×s | 395.36 | Calculated Property |
| η | 0.0006729 | Pa×s | 419.63 | Calculated Property |
| η | 0.0005508 | Pa×s | 443.91 | Calculated Property |
| η | 0.0004604 | Pa×s | 468.18 | Calculated Property |
| η | 0.0003916 | Pa×s | 492.45 | Calculated Property |
| η | 0.0003383 | Pa×s | 516.73 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.65; 101.83] | kPa | [348.00; 466.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.78087e+01 | |||
| Coefficient B | -5.65047e+03 | |||
| Coefficient C | -3.81620e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 348.00 | |||
| Temperature range, max. | 466.70 | |||
| Pvap | 0.65 | kPa | 348.00 | Calculated Property |
| Pvap | 1.37 | kPa | 361.19 | Calculated Property |
| Pvap | 2.73 | kPa | 374.38 | Calculated Property |
| Pvap | 5.14 | kPa | 387.57 | Calculated Property |
| Pvap | 9.26 | kPa | 400.76 | Calculated Property |
| Pvap | 15.99 | kPa | 413.94 | Calculated Property |
| Pvap | 26.63 | kPa | 427.13 | Calculated Property |
| Pvap | 42.88 | kPa | 440.32 | Calculated Property |
| Pvap | 66.99 | kPa | 453.51 | Calculated Property |
| Pvap | 101.83 | kPa | 466.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenylglyoxal.
Sources
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