- InChI
- InChI=1S/C3/c1-3-2
- InChI Key
- NVLRFXKSQQPKAD-UHFFFAOYSA-N
- Formula
- C3
- SMILES
- [C]=C=[C]
- Molecular Weight1
- 36.03
- Other Names
-
- 1,2-Propadiene-1,3-diylidene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 767.00 | kJ/mol | NIST |
| BasG | 736.30 | kJ/mol | NIST |
| EA | [1.95; 2.50] | eV |
|
| EA | 2.00 ± 0.03 | eV | NIST |
| EA | 1.98 ± 0.02 | eV | NIST |
| EA | 1.95 ± 0.10 | eV | NIST |
| EA | 2.50 ± 1.00 | eV | NIST |
| ΔfH°gas | 823.60 ± 1.10 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| IE | [11.10; 13.00] | eV |
|
| IE | 13.00 ± 0.10 | eV | NIST |
| IE | 11.10 ± 0.50 | eV | NIST |
| IE | 12.10 ± 0.20 | eV | NIST |
| IE | 12.10 ± 0.30 | eV | NIST |
| IE | 12.60 ± 0.60 | eV | NIST |
| logPoct/wat | 0.318 | Crippen Calculated Property | |
| McVol | 35.930 | ml/mol | McGowan Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [37.75; 44.81] | J/mol×K | [298.00; 1000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.63336e+01 | |||
| Coefficient B | 2.02683e+01 | |||
| Coefficient C | 2.78884e+00 | |||
| Coefficient D | -5.04917e+00 | |||
| Coefficient E | 4.66985e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=812.8717, G=265.6380, H=820.0640; Data last reviewed in December, 1969 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 37.75 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 37.38 | J/mol×K | 376.00 | Calculated Property |
| Cp,gas | 37.90 | J/mol×K | 454.00 | Calculated Property |
| Cp,gas | 38.80 | J/mol×K | 532.00 | Calculated Property |
| Cp,gas | 39.84 | J/mol×K | 610.00 | Calculated Property |
| Cp,gas | 40.94 | J/mol×K | 688.00 | Calculated Property |
| Cp,gas | 42.02 | J/mol×K | 766.00 | Calculated Property |
| Cp,gas | 43.05 | J/mol×K | 844.00 | Calculated Property |
| Cp,gas | 43.98 | J/mol×K | 922.00 | Calculated Property |
| Cp,gas | 44.81 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | [44.74; 57.77] | J/mol×K | [1000.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.38985e+01 | |||
| Coefficient B | 5.49121e+00 | |||
| Coefficient C | -8.19001e-01 | |||
| Coefficient D | 4.86980e-02 | |||
| Coefficient E | -3.87984e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=798.2737, G=278.3469, H=820.0640; Data last reviewed in December, 1969 | |||
| Temperature range, min. | 1000.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 44.74 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | 49.04 | J/mol×K | 1555.56 | Calculated Property |
| Cp,gas | 51.43 | J/mol×K | 2111.11 | Calculated Property |
| Cp,gas | 53.10 | J/mol×K | 2666.67 | Calculated Property |
| Cp,gas | 54.34 | J/mol×K | 3222.22 | Calculated Property |
| Cp,gas | 55.31 | J/mol×K | 3777.78 | Calculated Property |
| Cp,gas | 56.07 | J/mol×K | 4333.33 | Calculated Property |
| Cp,gas | 56.70 | J/mol×K | 4888.89 | Calculated Property |
| Cp,gas | 57.25 | J/mol×K | 5444.44 | Calculated Property |
| Cp,gas | 57.77 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbon trimer.
Sources
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- 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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