- InChI
- InChI=1S/C4H3N/c1-2-3-4-5/h1H3
- InChI Key
- WNXDCVVDPKHWMW-UHFFFAOYSA-N
- Formula
- C4H3N
- SMILES
- CC#CC#N
- Molecular Weight1
- 65.07
- CAS
- 13752-78-8
- Other Names
-
- CH3C«equiv»CCN
- Prop-1-yne, 1-cyano-
- 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).
- Inp : Non-polar retention indices.
- 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° | 318.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 311.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.13 | kJ/mol | Joback Calculated Property |
| IE | [10.78; 10.95] | eV |
|
| IE | 10.78 ± 0.02 | eV | NIST |
| IE | 10.95 | eV | NIST |
| log10WS | -1.16 | Crippen Calculated Property | |
| logPoct/wat | 0.533 | Crippen Calculated Property | |
| McVol | 60.000 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Inp | [595.00; 637.90] |
|
|
| Inp | 637.90 | NIST | |
| Inp | 596.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 637.90 | NIST | |
| Tboil | 402.00 | K | Joback Calculated Property |
| Tc | 623.50 | K | Joback Calculated Property |
| Tfus | 305.93 | K | Joback Calculated Property |
| Vc | 0.247 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [90.85; 113.80] | J/mol×K | [402.00; 623.50] |
|
| Cp,gas | 90.85 | J/mol×K | 402.00 | Joback Calculated Property |
| Cp,gas | 95.06 | J/mol×K | 438.92 | Joback Calculated Property |
| Cp,gas | 99.12 | J/mol×K | 475.83 | Joback Calculated Property |
| Cp,gas | 103.02 | J/mol×K | 512.75 | Joback Calculated Property |
| Cp,gas | 106.76 | J/mol×K | 549.67 | Joback Calculated Property |
| Cp,gas | 110.36 | J/mol×K | 586.58 | Joback Calculated Property |
| Cp,gas | 113.80 | J/mol×K | 623.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanopropyne.
Sources
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