- InChI
- InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3
- InChI Key
- BKMMTJMQCTUHRP-UHFFFAOYSA-N
- Formula
- C3H9NO
- SMILES
- CC(N)CO
- Molecular Weight1
- 75.11
- CAS
- 6168-72-5
- Other Names
-
- (.+/-.)-2-Amino-1-propanol
- (.+/-.)-Alaninol
- 1-Hydroxy-2-aminopropane
- 1-Methyl-2-hydroxyethylamine
- 1-Propanol, 2-amino-
- 1-Propanol, 2-amino-, DL-
- 2-Amino-1-propanol
- 2-Amino-2-methylethanol
- 2-Aminopropanol
- Alaninol
- DL-2-Amino-1-propanol
- DL-2-Aminopropanol
- DL-2-aminopropan-1-ol
- DL-Alaninol
- NSC 1360
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5986 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.674 | Crippen Calculated Property | |
| McVol | 68.980 | ml/mol | McGowan Calculated Property |
| Pc | 5495.11 | kPa | Joback Calculated Property |
| Tboil | [447.70; 448.00] | K |
|
| Tboil | 447.70 | K | NIST |
| Tboil | 448.00 | K | NIST |
| Tc | 623.90 | K | Relay (1.0) Calculated Property |
| Tfus | 281.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.233 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.68; 229.28] | 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 | 1.02610e+01 | |||
| Coefficient B | 3.90620e-01 | |||
| Coefficient C | -2.16400e-04 | |||
| Coefficient D | 4.48000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 101.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 123.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 142.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 160.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 175.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 189.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 201.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 212.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 221.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 229.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [342.72; 420.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.33125e+01 | |||
| Coefficient B | -6.38392e+03 | |||
| Coefficient C | -6.54580e+01 | |||
| Temperature range, min. | 342.72 | |||
| Temperature range, max. | 420.10 | |||
| Pvap | 1.33 | kPa | 342.72 | Calculated Property |
| Pvap | 2.66 | kPa | 351.32 | Calculated Property |
| Pvap | 5.11 | kPa | 359.92 | Calculated Property |
| Pvap | 9.46 | kPa | 368.51 | Calculated Property |
| Pvap | 16.92 | kPa | 377.11 | Calculated Property |
| Pvap | 29.32 | kPa | 385.71 | Calculated Property |
| Pvap | 49.38 | kPa | 394.31 | Calculated Property |
| Pvap | 80.97 | kPa | 402.90 | Calculated Property |
| Pvap | 129.56 | kPa | 411.50 | Calculated Property |
| Pvap | 202.64 | kPa | 420.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 2-amino-, (.+/-.)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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