- InChI
- InChI=1S/C9H7NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H2,10,11)
- InChI Key
- HJZZEVFDPBDIDQ-UHFFFAOYSA-N
- Formula
- C9H7NO
- SMILES
- NC(=O)C#Cc1ccccc1
- Molecular Weight1
- 145.16
- CAS
- 7223-30-5
- Other Names
-
- 3-Phenylpropynoic acid amide
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4589.40 | kJ/mol | NIST |
| ΔfG° | 277.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 200.95 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 47.40 ± 4.00 | kJ/mol | NIST |
| ΔfH°solid | -20.00 | kJ/mol | NIST |
| ΔfusH° | 23.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.44 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 0.523 | Crippen Calculated Property | |
| McVol | 116.860 | ml/mol | McGowan Calculated Property |
| Pc | 4621.41 | kPa | Joback Calculated Property |
| Tboil | 567.40 | K | Joback Calculated Property |
| Tc | 826.44 | K | Joback Calculated Property |
| Tfus | 456.90 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.36; 305.34] | J/mol×K | [567.40; 826.44] | 
|
| Cp,gas | 249.36 | J/mol×K | 567.40 | Joback Calculated Property |
| Cp,gas | 260.79 | J/mol×K | 610.57 | Joback Calculated Property |
| Cp,gas | 271.30 | J/mol×K | 653.75 | Joback Calculated Property |
| Cp,gas | 280.97 | J/mol×K | 696.92 | Joback Calculated Property |
| Cp,gas | 289.83 | J/mol×K | 740.09 | Joback Calculated Property |
| Cp,gas | 297.94 | J/mol×K | 783.27 | Joback Calculated Property |
| Cp,gas | 305.34 | J/mol×K | 826.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylpropiolamide.
Sources
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