- InChI
- InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
- InChI Key
- WOFDVDFSGLBFAC-UHFFFAOYSA-N
- Formula
- C3H5NO
- SMILES
- CC(O)C#N
- Molecular Weight1
- 71.08
- CAS
- 78-97-7
- Other Names
-
- 2-HYDROXYPROPIONITRILE
- 2-Hydroxypropanenitrile
- 2-Hydroxypropannitril
- ACETALDEHYDE
- ALPHA-HYDROXYPROPIONITRILE
- Acetaldehyde, cyanohydrin
- Acetocyanohydrin
- CYANOHYDRIN
- LACTONITRILE
- Laktonitril
- NSC 7764
- Propionitrile, 2-hydroxy-
- «alpha»-Hydroxypropionitrile
- «alpha»-Hydroxypropionitrile
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -31.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.04 | kJ/mol | Joback Calculated Property |
| log10WS | -0.32 | Crippen Calculated Property | |
| logPoct/wat | -0.109 | Crippen Calculated Property | |
| McVol | 60.380 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| Tboil | 461.86 | K | Joback Calculated Property |
| Tc | 651.40 | K | Joback Calculated Property |
| Tfus | 233.15 ± 0.50 | K | NIST |
| Vc | 0.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [114.90; 139.77] | J/mol×K | [461.86; 651.40] | 
|
| Cp,gas | 114.90 | J/mol×K | 461.86 | Joback Calculated Property |
| Cp,gas | 119.53 | J/mol×K | 493.45 | Joback Calculated Property |
| Cp,gas | 123.96 | J/mol×K | 525.04 | Joback Calculated Property |
| Cp,gas | 128.20 | J/mol×K | 556.63 | Joback Calculated Property |
| Cp,gas | 132.24 | J/mol×K | 588.22 | Joback Calculated Property |
| Cp,gas | 136.10 | J/mol×K | 619.81 | Joback Calculated Property |
| Cp,gas | 139.77 | J/mol×K | 651.40 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.20 | K | 6.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [355.11; 405.08] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 3.35615e+01 | |||
| Coefficient B | -9.34973e+03 | |||
| Coefficient C | -7.41150e+01 | |||
| Temperature range, min. | 355.11 | |||
| Temperature range, max. | 405.08 | |||
| Pvap | 1.33 | kPa | 355.11 | Calculated Property |
| Pvap | 2.54 | kPa | 360.66 | Calculated Property |
| Pvap | 4.72 | kPa | 366.21 | Calculated Property |
| Pvap | 8.58 | kPa | 371.77 | Calculated Property |
| Pvap | 15.26 | kPa | 377.32 | Calculated Property |
| Pvap | 26.57 | kPa | 382.87 | Calculated Property |
| Pvap | 45.36 | kPa | 388.42 | Calculated Property |
| Pvap | 76.01 | kPa | 393.98 | Calculated Property |
| Pvap | 125.16 | kPa | 399.53 | Calculated Property |
| Pvap | 202.68 | kPa | 405.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 2-hydroxy-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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