- InChI
- InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
- InChI Key
- JVQIKJMSUIMUDI-UHFFFAOYSA-N
- Formula
- C4H7N
- SMILES
- C1=CCNC1
- Molecular Weight1
- 69.11
- CAS
- 109-96-6
- Other Names
-
- 3-Pyrroline
- «delta»3-Pyrroline
- 2,5-Dihydropyrrole
- Pyrroline
- 2,5-Dihydro-1H-pyrrole
- 2,5-dihydro-H-pyrrole
- 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).
- 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° | 144.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 50.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.11 | kJ/mol | Joback Calculated Property |
| IE | [8.00; 8.61] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.61 ± 0.05 | eV | NIST |
| log10WS | -0.43 | Crippen Calculated Property | |
| logPoct/wat | 0.146 | Crippen Calculated Property | |
| McVol | 62.040 | ml/mol | McGowan Calculated Property |
| Pc | 5670.27 | kPa | Joback Calculated Property |
| Tboil | [363.65; 363.70] | K |
|
| Tboil | 363.70 | K | NIST |
| Tboil | 363.65 ± 1.50 | K | NIST |
| Tc | 569.87 | K | Joback Calculated Property |
| Tfus | 255.77 | K | Joback Calculated Property |
| Vc | 0.225 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [91.48; 142.31] | J/mol×K | [358.58; 569.87] |
|
| Cp,gas | 91.48 | J/mol×K | 358.58 | Joback Calculated Property |
| Cp,gas | 101.21 | J/mol×K | 393.80 | Joback Calculated Property |
| Cp,gas | 110.42 | J/mol×K | 429.01 | Joback Calculated Property |
| Cp,gas | 119.11 | J/mol×K | 464.23 | Joback Calculated Property |
| Cp,gas | 127.31 | J/mol×K | 499.44 | Joback Calculated Property |
| Cp,gas | 135.04 | J/mol×K | 534.66 | Joback Calculated Property |
| Cp,gas | 142.31 | J/mol×K | 569.87 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 363.70 | K | 99.70 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 2,5-dihydro-.
Sources
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