- InChI
- InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3
- InChI Key
- VNMDYSSJFJFEQI-UHFFFAOYSA-N
- Formula
- C5H4
- SMILES
- C#CC#CC
- Molecular Weight1
- 64.09
- CAS
- 4911-55-1
- 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).
- 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° | 417.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 417.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.73 | kJ/mol | Joback Calculated Property |
| IE | [9.40; 9.51] | eV |
|
| IE | 9.50 ± 0.02 | eV | NIST |
| IE | 9.40 | eV | NIST |
| IE | 9.51 | eV | NIST |
| IE | 9.51 | eV | NIST |
| IE | 9.50 ± 0.10 | eV | NIST |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 0.643 | Crippen Calculated Property | |
| McVol | 64.110 | ml/mol | McGowan Calculated Property |
| Pc | 5175.72 | kPa | Joback Calculated Property |
| Tboil | [328.00; 328.70] | K |
|
| Tboil | 328.70 | K | NIST |
| Tboil | 328.00 ± 4.00 | K | NIST |
| Tc | 516.81 | K | Joback Calculated Property |
| Tfus | 299.18 | K | Joback Calculated Property |
| Vc | 0.239 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [89.77; 116.90] | J/mol×K | [312.92; 516.81] |
|
| Cp,gas | 89.77 | J/mol×K | 312.92 | Joback Calculated Property |
| Cp,gas | 94.86 | J/mol×K | 346.90 | Joback Calculated Property |
| Cp,gas | 99.71 | J/mol×K | 380.88 | Joback Calculated Property |
| Cp,gas | 104.32 | J/mol×K | 414.87 | Joback Calculated Property |
| Cp,gas | 108.72 | J/mol×K | 448.85 | Joback Calculated Property |
| Cp,gas | 112.91 | J/mol×K | 482.83 | Joback Calculated Property |
| Cp,gas | 116.90 | J/mol×K | 516.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Pentadiyne.
Sources
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