- 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.
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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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [50.57; 68.34] | J/mol×K | [267.29; 438.80] | 
|
| Cp,gas | 50.57 | J/mol×K | 267.29 | Joback Calculated Property |
| Cp,gas | 54.05 | J/mol×K | 295.87 | Joback Calculated Property |
| Cp,gas | 57.30 | J/mol×K | 324.46 | Joback Calculated Property |
| Cp,gas | 60.34 | J/mol×K | 353.04 | Joback Calculated Property |
| Cp,gas | 63.19 | J/mol×K | 381.63 | Joback Calculated Property |
| Cp,gas | 65.85 | J/mol×K | 410.21 | Joback Calculated Property |
| Cp,gas | 68.34 | J/mol×K | 438.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CH2CCH.
Sources
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