- InChI
- InChI=1S/C3H4/c1-3-2/h1H,2H3/i1D,2D3
- InChI Key
- MWWATHDPGQKSAR-BMQYTIHCSA-N
- Formula
- C3D4
- SMILES
- C#CC
- Molecular Weight1
- 44.09
- CAS
- 6111-63-3
- 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° | 197.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 186.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 22.13 | kJ/mol | Joback Calculated Property |
| IE | 10.38 | eV | NIST |
| log10WS | -0.87 | Crippen Calculated Property | |
| logPoct/wat | 0.639 | Crippen Calculated Property | |
| McVol | 44.530 | ml/mol | McGowan Calculated Property |
| Pc | 5422.51 | kPa | Joback Calculated Property |
| Tboil | 258.16 | K | Joback Calculated Property |
| Tc | 428.99 | K | Joback Calculated Property |
| Tfus | 170.54 | K | Joback Calculated Property |
| Vc | 0.166 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [55.98; 76.04] | J/mol×K | [258.16; 428.99] | 
|
| Cp,gas | 55.98 | J/mol×K | 258.16 | Joback Calculated Property |
| Cp,gas | 59.70 | J/mol×K | 286.63 | Joback Calculated Property |
| Cp,gas | 63.26 | J/mol×K | 315.10 | Joback Calculated Property |
| Cp,gas | 66.67 | J/mol×K | 343.57 | Joback Calculated Property |
| Cp,gas | 69.94 | J/mol×K | 372.05 | Joback Calculated Property |
| Cp,gas | 73.06 | J/mol×K | 400.52 | Joback Calculated Property |
| Cp,gas | 76.04 | J/mol×K | 428.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyne-d4.
Sources
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