- InChI
- InChI=1S/C3H4/c1-3-2/h1-2H2
- InChI Key
- IYABWNGZIDDRAK-UHFFFAOYSA-N
- Formula
- C3H4
- SMILES
- C=C=C
- Molecular Weight1
- 40.06
- CAS
- 463-49-0
- Other Names
-
- 1,2-Propadiene
- CH2=C=CH2
- DIMETHYLENEMETHANE
- PROPA-1,2-DIENE
- Propadiene
- sym-Allylene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3130 | KDB | |
| PAff | 775.30 | kJ/mol | NIST |
| BasG | 745.80 | kJ/mol | NIST |
| μ | 0.20 | debye | KDB |
| ΔfG° | 202.50 | kJ/mol | KDB |
| Δc,grossH | 1928.82 | kJ/mol | KDB |
| Δc,netH | 1840.960 | kJ/mol | KDB |
| ΔfH°gas | 192.30 | kJ/mol | KDB |
| ΔfusH° | 2.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.41 | kJ/mol | Joback Calculated Property |
| IE | [9.53; 10.20] | eV |
|
| IE | 9.69 ± 0.00 | eV | NIST |
| IE | 9.69 ± 0.00 | eV | NIST |
| IE | 10.06 | eV | NIST |
| IE | 9.69 ± 0.00 | eV | NIST |
| IE | 9.70 ± 0.00 | eV | NIST |
| IE | 9.62 ± 0.02 | eV | NIST |
| IE | 9.62 | eV | NIST |
| IE | 10.02 ± 0.00 | eV | NIST |
| IE | 9.53 ± 0.03 | eV | NIST |
| IE | 9.83 | eV | NIST |
| IE | 9.69 | eV | NIST |
| IE | 9.62 ± 0.04 | eV | NIST |
| IE | 10.00 | eV | NIST |
| IE | 10.20 ± 0.10 | eV | NIST |
| IE | 10.02 | eV | NIST |
| IE | 10.07 | eV | NIST |
| log10WS | -0.81 | Crippen Calculated Property | |
| logPoct/wat | 0.957 | Crippen Calculated Property | |
| McVol | 44.530 | ml/mol | McGowan Calculated Property |
| Pc | [5250.00; 5250.00] | kPa |
|
| Pc | 5250.00 | kPa | KDB |
| Pc | 5250.00 | kPa | NIST |
| Inp | [311.00; 337.00] |
|
|
| Inp | 329.50 | NIST | |
| Inp | 311.00 | NIST | |
| Inp | 316.00 | NIST | |
| Inp | 317.00 | NIST | |
| Inp | 318.00 | NIST | |
| Inp | 319.00 | NIST | |
| Inp | 320.00 | NIST | |
| Inp | 336.00 | NIST | |
| Inp | 326.00 | NIST | |
| Inp | 326.00 | NIST | |
| Inp | 337.00 | NIST | |
| Tboil | [238.00; 241.00] | K |
|
| Tboil | 238.70 | K | KDB |
| Tboil | 241.00 | K | NIST |
| Tboil | 241.00 ± 4.00 | K | NIST |
| Tboil | 238.00 ± 2.00 | K | NIST |
| Tboil | 238.65 ± 0.40 | K | NIST |
| Tboil | 238.85 ± 1.00 | K | NIST |
| Tboil | 239.51 ± 1.00 | K | NIST |
| Tboil | 241.00 ± 3.00 | K | NIST |
| Tc | [394.00; 394.00] | K |
|
| Tc | 394.00 | K | KDB |
| Tc | 394.00 | K | NIST |
| Tfus | [127.00; 137.10] | K |
|
| Tfus | 136.87 | K | KDB |
| Tfus | 137.10 ± 0.30 | K | NIST |
| Tfus | 127.00 ± 10.00 | K | NIST |
| Ttriple | 136.59 ± 0.20 | K | NIST |
| Vc | 0.162 | m3/kmol | KDB |
| Zc | 0.2596220 | KDB | |
| Zra | 0.27 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [40.63; 67.86] | J/mol×K | [148.20; 366.45] |
|
| Cp,gas | 40.63 ± 0.16 | J/mol×K | 148.20 | NIST |
| Cp,gas | 41.49 ± 0.17 | J/mol×K | 157.80 | NIST |
| Cp,gas | 47.53 ± 0.19 | J/mol×K | 213.10 | NIST |
| Cp,gas | 48.30 ± 0.19 | J/mol×K | 218.40 | NIST |
| Cp,gas | 49.02 ± 0.20 | J/mol×K | 223.70 | NIST |
| Cp,gas | 53.31 ± 0.21 | J/mol×K | 258.00 | NIST |
| Cp,gas | 55.23 ± 0.22 | J/mol×K | 272.16 | NIST |
| Cp,gas | 59.33 ± 0.24 | J/mol×K | 300.00 | NIST |
| Cp,gas | 63.81 ± 0.26 | J/mol×K | 334.00 | NIST |
| Cp,gas | 67.86 ± 0.27 | J/mol×K | 366.45 | NIST |
| ΔvapH | [18.62; 22.90] | kJ/mol | [163.50; 241.20] |
|
| ΔvapH | 22.90 | kJ/mol | 163.50 | NIST |
| ΔvapH | 21.30 | kJ/mol | 195.50 | NIST |
| ΔvapH | 22.60 | kJ/mol | 205.00 | NIST |
| ΔvapH | 19.90 | kJ/mol | 219.50 | NIST |
| ΔvapH | 20.90 | kJ/mol | 219.50 | NIST |
| ΔvapH | 21.50 | kJ/mol | 230.00 | NIST |
| ΔvapH | 18.62 | kJ/mol | 241.20 | KDB |
| ρl | 658.00 | kg/m3 | 238.00 | KDB |
| γ | 0.02 | N/m | 233.20 | KDB |
Similar Compounds
Find more compounds similar to Allene.
Sources
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