- InChI
- InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
- InChI Key
- KQIGMPWTAHJUMN-UHFFFAOYSA-N
- Formula
- C3H9NO2
- SMILES
- NCC(O)CO
- Molecular Weight1
- 91.11
- CAS
- 616-30-8
- Other Names
-
- 1-Aminoglycerol
- 1,2-Propanediol, 3-amino-
- 1-Amino-2,3-propanediol
- 2,3-Dihydroxypropylamine
- 2,3-Propandiol-1-amine
- 3-aminopropane-1,2-diol
- 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).
- 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° | -235.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.88 | kJ/mol | Joback Calculated Property |
| log10WS | 0.85 | Crippen Calculated Property | |
| logPoct/wat | -1.702 | Crippen Calculated Property | |
| McVol | 74.850 | ml/mol | McGowan Calculated Property |
| Pc | 6328.92 | kPa | Joback Calculated Property |
| Tboil | 537.50 ± 0.50 | K | NIST |
| Tc | 698.04 | K | Joback Calculated Property |
| Tfus | 313.47 | K | Joback Calculated Property |
| Vc | 0.265 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.24; 210.26] | J/mol×K | [524.49; 698.04] | 
|
| Cp,gas | 178.24 | J/mol×K | 524.49 | Joback Calculated Property |
| Cp,gas | 184.20 | J/mol×K | 553.42 | Joback Calculated Property |
| Cp,gas | 189.90 | J/mol×K | 582.34 | Joback Calculated Property |
| Cp,gas | 195.35 | J/mol×K | 611.27 | Joback Calculated Property |
| Cp,gas | 200.55 | J/mol×K | 640.19 | Joback Calculated Property |
| Cp,gas | 205.52 | J/mol×K | 669.12 | Joback Calculated Property |
| Cp,gas | 210.26 | J/mol×K | 698.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [369.50; 537.70] | K | [4.00e-04; 98.50] |
|
| Tboilr | 369.50 ± 1.50 | K | 4.00e-04 | NIST |
| Tboilr | 385.50 ± 2.50 | K | 0.20 | NIST |
| Tboilr | 436.00 | K | 2.00 | NIST |
| Tboilr | 537.70 | K | 98.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Amino-1,2-propanediol.
Sources
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