- InChI
- InChI=1S/CHO/c1-2/h1H
- InChI Key
- CFHIDWOYWUOIHU-UHFFFAOYSA-N
- Formula
- CHO
- SMILES
- [CH]=O
- Molecular Weight1
- 29.02
- CAS
- 2597-44-6
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°(+) ion : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
- ΔfH(+) ion,0K : Enthalpy of formation of positive ion at 0K (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 636.00 | kJ/mol | NIST |
| BasG | 601.80 | kJ/mol | NIST |
| EA | 0.31 ± 0.01 | eV | NIST |
| ΔfH°gas | 42.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°(+) ion | 824.00 ± 8.00 | kJ/mol | NIST |
| ΔfH(+) ion,0K | 829.30 ± 7.50 | kJ/mol | NIST |
| ΔfusH° | 2.32 | kJ/mol | Joback Calculated Property |
| IE | [8.10; 10.03] | eV |
|
| IE | 8.12 ± 0.04 | eV | NIST |
| IE | 8.14 ± 0.04 | eV | NIST |
| IE | 8.10 ± 0.05 | eV | NIST |
| IE | 8.55 ± 0.01 | eV | NIST |
| IE | 10.03 ± 0.17 | eV | NIST |
| IE | 9.83 ± 0.18 | eV | NIST |
| IE | 9.31 ± 0.01 | eV | NIST |
| logPoct/wat | -0.274 | Crippen Calculated Property | |
| McVol | 24.370 | ml/mol | McGowan Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [34.61; 50.31] | J/mol×K | [298.00; 1200.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.11380e+01 | |||
| Coefficient B | 4.04361e+01 | |||
| Coefficient C | -1.47134e+01 | |||
| Coefficient D | 9.69010e-01 | |||
| Coefficient E | 2.39639e-01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1200.00 | |||
| Cp,gas | 34.61 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 36.48 | J/mol×K | 398.22 | Calculated Property |
| Cp,gas | 38.72 | J/mol×K | 498.44 | Calculated Property |
| Cp,gas | 40.95 | J/mol×K | 598.67 | Calculated Property |
| Cp,gas | 43.03 | J/mol×K | 698.89 | Calculated Property |
| Cp,gas | 44.93 | J/mol×K | 799.11 | Calculated Property |
| Cp,gas | 46.60 | J/mol×K | 899.33 | Calculated Property |
| Cp,gas | 48.06 | J/mol×K | 999.56 | Calculated Property |
| Cp,gas | 49.30 | J/mol×K | 1099.78 | Calculated Property |
| Cp,gas | 50.31 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | [50.29; 59.60] | J/mol×K | [1200.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.27937e+01 | |||
| Coefficient B | 2.66615e+00 | |||
| Coefficient C | -3.92339e-01 | |||
| Coefficient D | 2.38080e-02 | |||
| Coefficient E | -7.45702e+00 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 1200.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 50.29 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | 53.88 | J/mol×K | 1733.33 | Calculated Property |
| Cp,gas | 55.65 | J/mol×K | 2266.67 | Calculated Property |
| Cp,gas | 56.75 | J/mol×K | 2800.00 | Calculated Property |
| Cp,gas | 57.53 | J/mol×K | 3333.33 | Calculated Property |
| Cp,gas | 58.11 | J/mol×K | 3866.67 | Calculated Property |
| Cp,gas | 58.57 | J/mol×K | 4400.00 | Calculated Property |
| Cp,gas | 58.95 | J/mol×K | 4933.33 | Calculated Property |
| Cp,gas | 59.28 | J/mol×K | 5466.67 | Calculated Property |
| Cp,gas | 59.60 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001752; 0.0001140] | Pa×s | [159.40; 305.76] |
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 | -9.54708e+00 | |||
| Coefficient B | 1.43100e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 159.40 | |||
| Temperature range, max. | 305.76 | |||
| η | 0.0001752 | Pa×s | 159.40 | Calculated Property |
| η | 0.0001613 | Pa×s | 175.66 | Calculated Property |
| η | 0.0001505 | Pa×s | 191.92 | Calculated Property |
| η | 0.0001420 | Pa×s | 208.19 | Calculated Property |
| η | 0.0001351 | Pa×s | 224.45 | Calculated Property |
| η | 0.0001294 | Pa×s | 240.71 | Calculated Property |
| η | 0.0001246 | Pa×s | 256.97 | Calculated Property |
| η | 0.0001206 | Pa×s | 273.24 | Calculated Property |
| η | 0.0001171 | Pa×s | 289.50 | Calculated Property |
| η | 0.0001140 | Pa×s | 305.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Formyl radical.
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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