- InChI
- InChI=1S/C3H3/c1-3-2/h1H,2H2
- InChI Key
- DITHIFQMPPCBCU-UHFFFAOYSA-N
- Formula
- C3H3
- SMILES
- [CH]=C=C
- Molecular Weight1
- 39.06
- CAS
- 6401-87-2
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2384 | Relay (1.0) Calculated Property | |
| ΔfG° | 242.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 208.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.06 | kJ/mol | Joback Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.760 | Crippen Calculated Property | |
| McVol | 42.380 | ml/mol | McGowan Calculated Property |
| Pc | 5670.27 | kPa | Joback Calculated Property |
| Tboil | 252.72 | K | Relay (1.0) Calculated Property |
| Tc | 399.64 | K | Relay (1.0) Calculated Property |
| Tfus | 184.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.160 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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 | [51.28; 100.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.07000e+00 | |||
| Coefficient B | 2.21200e-01 | |||
| Coefficient C | -2.14300e-04 | |||
| Coefficient D | 8.84000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 51.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 60.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 67.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 74.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 79.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 84.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 88.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 91.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 95.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 100.37 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to CH2CCH.
Sources
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