- InChI
- InChI=1S/C13H14O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6,10H2,1H3
- InChI Key
- RBBQVELPWQFPJO-UHFFFAOYSA-N
- Formula
- C13H14O
- SMILES
- CCC(=O)C#CCCc1ccccc1
- Molecular Weight1
- 186.25
- CAS
- 62059-60-3
- 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 | -7064.70 | kJ/mol | NIST |
| ΔfG° | 244.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 84.60 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-51.70; 101.00] | kJ/mol |
|
| ΔfH°liquid | -51.70 ± 6.00 | kJ/mol | NIST |
| ΔfH°liquid | 101.00 | kJ/mol | NIST |
| ΔfusH° | 28.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.602 | Crippen Calculated Property | |
| McVol | 163.240 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Tboil | 586.39 | K | Joback Calculated Property |
| Tc | 816.75 | K | Joback Calculated Property |
| Tfus | 418.72 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.40; 457.17] | J/mol×K | [586.39; 816.75] |
|
| Cp,gas | 378.40 | J/mol×K | 586.39 | Joback Calculated Property |
| Cp,gas | 393.90 | J/mol×K | 624.78 | Joback Calculated Property |
| Cp,gas | 408.39 | J/mol×K | 663.18 | Joback Calculated Property |
| Cp,gas | 421.92 | J/mol×K | 701.57 | Joback Calculated Property |
| Cp,gas | 434.52 | J/mol×K | 739.96 | Joback Calculated Property |
| Cp,gas | 446.26 | J/mol×K | 778.35 | Joback Calculated Property |
| Cp,gas | 457.17 | J/mol×K | 816.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Phenylhept-4-yn-3-one.
Sources
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