- InChI
- InChI=1S/C4H2/c1-3-4-2/h1-2H/i1D,2D
- InChI Key
- LLCSWKVOHICRDD-QDNHWIQGSA-N
- Formula
- C4D2
- SMILES
- C#CC#C
- Molecular Weight1
- 52.07
- CAS
- 16954-96-4
- 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° | 428.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 457.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 24.21 | kJ/mol | Joback Calculated Property |
| IE | [10.18; 10.18] | eV |
|
| IE | 10.18 ± 0.00 | eV | NIST |
| IE | 10.18 ± 0.01 | eV | NIST |
| log10WS | -1.09 | Crippen Calculated Property | |
| logPoct/wat | 0.253 | Crippen Calculated Property | |
| McVol | 50.020 | ml/mol | McGowan Calculated Property |
| Pc | 5862.92 | kPa | Joback Calculated Property |
| Tboil | 271.16 | K | Joback Calculated Property |
| Tc | 457.28 | K | Joback Calculated Property |
| Tfus | 228.78 | K | Joback Calculated Property |
| Vc | 0.183 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [67.77; 84.61] | J/mol×K | [271.16; 457.28] |
|
| Cp,gas | 67.77 | J/mol×K | 271.16 | Joback Calculated Property |
| Cp,gas | 71.10 | J/mol×K | 302.18 | Joback Calculated Property |
| Cp,gas | 74.21 | J/mol×K | 333.20 | Joback Calculated Property |
| Cp,gas | 77.10 | J/mol×K | 364.22 | Joback Calculated Property |
| Cp,gas | 79.79 | J/mol×K | 395.24 | Joback Calculated Property |
| Cp,gas | 82.29 | J/mol×K | 426.26 | Joback Calculated Property |
| Cp,gas | 84.61 | J/mol×K | 457.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butadiyne-d2.
Sources
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