- InChI
- InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
- InChI Key
- NNICRUQPODTGRU-UHFFFAOYSA-N
- Formula
- C8H7NO
- SMILES
- N#CC(O)c1ccccc1
- Molecular Weight1
- 133.15
- CAS
- 532-28-5
- Other Names
-
- Benzaldehyde, cyanohydrin
- «alpha»-Cyanobenzyl alcohol
- «alpha»-Hydroxybenzeneacetonitrile
- Mandelic acid nitrile
- Mandelonitrile
- Phenylglycolonitrile
- Acetonitrile, hydroxyphenyl-
- Amygdalonitrile
- Benzaldehydkyanhydrin
- Glycolonitrile, phenyl-
- Nitril kyseliny mandlove
- (.+/-.)-Mandelonitrile
- NSC 77668
- Hydroxybenzyl cyanide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 122.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.45 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 107.070 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Tboil | 443.20 | K | NIST |
| Tc | 821.02 | K | Joback Calculated Property |
| Tfus | 317.15 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.83; 286.03] | J/mol×K | [602.94; 821.02] | 
|
| Cp,gas | 242.83 | J/mol×K | 602.94 | Joback Calculated Property |
| Cp,gas | 251.44 | J/mol×K | 639.29 | Joback Calculated Property |
| Cp,gas | 259.44 | J/mol×K | 675.63 | Joback Calculated Property |
| Cp,gas | 266.87 | J/mol×K | 711.98 | Joback Calculated Property |
| Cp,gas | 273.75 | J/mol×K | 748.33 | Joback Calculated Property |
| Cp,gas | 280.13 | J/mol×K | 784.67 | Joback Calculated Property |
| Cp,gas | 286.03 | J/mol×K | 821.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetonitrile, «alpha»-hydroxy-.
Sources
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