- InChI
- InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2
- InChI Key
- JKANAVGODYYCQF-UHFFFAOYSA-N
- Formula
- C3H5N
- SMILES
- C#CCN
- Molecular Weight1
- 55.08
- CAS
- 2450-71-7
- Other Names
-
- 2-Propyn-1-amine
- 3-Amino-1-propyne
- 2-Propynylamine
- 3-Aminoprop-1-yne
- 3-Aminopropyne
- 1-Propine, 3-amino-
- Prop-2-ynylamine
- NSC 80642
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| PAff | 887.40 | kJ/mol | NIST |
| BasG | 853.50 | kJ/mol | NIST |
| ΔcH°liquid | -2100.80 ± 0.84 | kJ/mol | NIST |
| ΔfG° | 263.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 220.44 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 206.00 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 11.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.77 | kJ/mol | Joback Calculated Property |
| log10WS | -0.31 | Crippen Calculated Property | |
| logPoct/wat | -0.422 | Crippen Calculated Property | |
| McVol | 54.510 | ml/mol | McGowan Calculated Property |
| Pc | 5908.07 | kPa | Joback Calculated Property |
| Tboil | [355.00; 356.20] | K |
|
| Tboil | 356.20 | K | NIST |
| Tboil | 355.00 ± 1.00 | K | NIST |
| Tc | 526.64 | K | Joback Calculated Property |
| Tfus | 253.80 | K | Joback Calculated Property |
| Vc | 0.195 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [87.76; 113.97] | J/mol×K | [330.69; 526.64] |
|
| Cp,gas | 87.76 | J/mol×K | 330.69 | Joback Calculated Property |
| Cp,gas | 92.73 | J/mol×K | 363.35 | Joback Calculated Property |
| Cp,gas | 97.44 | J/mol×K | 396.01 | Joback Calculated Property |
| Cp,gas | 101.91 | J/mol×K | 428.66 | Joback Calculated Property |
| Cp,gas | 106.15 | J/mol×K | 461.32 | Joback Calculated Property |
| Cp,gas | 110.17 | J/mol×K | 493.98 | Joback Calculated Property |
| Cp,gas | 113.97 | J/mol×K | 526.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propargylamine.
Sources
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