- InChI
- InChI=1S/C13H14O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3
- InChI Key
- QXGIWMOPVOXYCX-UHFFFAOYSA-N
- Formula
- C13H14O
- SMILES
- CC(C)(C)C(=O)C#Cc1ccccc1
- Molecular Weight1
- 186.25
- CAS
- 32398-67-7
- 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 | -7115.40 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 247.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [64.40; 64.60] | kJ/mol |
|
| ΔfH°gas | 64.60 | kJ/mol | NIST |
| ΔfH°gas | 64.40 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | [-1.30; -1.10] | kJ/mol |
|
| ΔfH°liquid | -1.10 ± 4.60 | kJ/mol | NIST |
| ΔfH°liquid | -1.30 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [65.67; 65.70] | kJ/mol |
|
| ΔvapH° | 65.70 | kJ/mol | NIST |
| ΔvapH° | 65.67 | kJ/mol | NIST |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.653 | Crippen Calculated Property | |
| McVol | 163.240 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Tboil | 402.00 ± 0.10 | K | NIST |
| Tc | 828.62 | K | Joback Calculated Property |
| Tfus | 421.14 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.79; 463.13] | J/mol×K | [583.16; 828.62] |
|
| Cp,gas | 381.79 | J/mol×K | 583.16 | Joback Calculated Property |
| Cp,gas | 398.25 | J/mol×K | 624.07 | Joback Calculated Property |
| Cp,gas | 413.43 | J/mol×K | 664.98 | Joback Calculated Property |
| Cp,gas | 427.42 | J/mol×K | 705.89 | Joback Calculated Property |
| Cp,gas | 440.31 | J/mol×K | 746.80 | Joback Calculated Property |
| Cp,gas | 452.19 | J/mol×K | 787.71 | Joback Calculated Property |
| Cp,gas | 463.13 | J/mol×K | 828.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tert-butyl(phenylacetylenyl)ketone.
Sources
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