- InChI
- InChI=1S/C4/c1-2-4-3-1
- InChI Key
- ZJRINDVWMDPKLP-UHFFFAOYSA-N
- Formula
- C4
- SMILES
- C1=C=C=C=1
- Molecular Weight1
- 48.04
- CAS
- 12184-80-4
- ω : Acentric Factor.
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 |
|---|---|---|---|
| ω | -0.0167 | Relay (1.0) Calculated Property | |
| EA | [2.10; 3.88] | eV |
|
| EA | 3.88 ± 0.01 | eV | NIST |
| EA | 3.70 ± 0.10 | eV | NIST |
| EA | 2.10 ± 0.10 | eV | NIST |
| ΔfG° | 353.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 711.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 15.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [12.54; 12.60] | eV |
|
| IE | 12.54 ± 0.35 | eV | NIST |
| IE | 12.60 | eV | NIST |
| log10WS | -1.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.620 | Crippen Calculated Property | |
| McVol | 39.160 | ml/mol | McGowan Calculated Property |
| Pc | 6007.78 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 258.51 | K | Relay (1.0) Calculated Property |
| Tc | 425.23 | K | Relay (1.0) Calculated Property |
| Tfus | 332.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.195 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tetracarbon.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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