- InChI
- InChI=1S/C11H10O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
- InChI Key
- XAJIQJSLJKBJTP-UHFFFAOYSA-N
- Formula
- C11H10O
- SMILES
- CCC(=O)C#Cc1ccccc1
- Molecular Weight1
- 158.20
- CAS
- 19307-74-5
- ΔcH°liquid : Standard liquid 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).
- 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°liquid | -5804.90 | kJ/mol | NIST |
| ΔfG° | 228.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 125.88 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-9.20; 47.10] | kJ/mol |
|
| ΔfH°liquid | 47.10 ± 5.00 | kJ/mol | NIST |
| ΔfH°liquid | -9.20 | kJ/mol | NIST |
| ΔfusH° | 23.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.017 | Crippen Calculated Property | |
| McVol | 135.060 | ml/mol | McGowan Calculated Property |
| Pc | 3380.21 | kPa | Joback Calculated Property |
| Tboil | 540.63 | K | Joback Calculated Property |
| Tc | 780.40 | K | Joback Calculated Property |
| Tfus | 396.18 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.67; 355.35] | J/mol×K | [540.63; 780.40] |
|
| Cp,gas | 285.67 | J/mol×K | 540.63 | Joback Calculated Property |
| Cp,gas | 299.49 | J/mol×K | 580.59 | Joback Calculated Property |
| Cp,gas | 312.37 | J/mol×K | 620.55 | Joback Calculated Property |
| Cp,gas | 324.35 | J/mol×K | 660.51 | Joback Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 700.48 | Joback Calculated Property |
| Cp,gas | 345.80 | J/mol×K | 740.44 | Joback Calculated Property |
| Cp,gas | 355.35 | J/mol×K | 780.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenylpenta-1-yn-3-one.
Sources
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