- InChI
- InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
- InChI Key
- FSPSELPMWGWDRY-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- CC(=O)c1cccc(C)c1
- Molecular Weight1
- 134.18
- CAS
- 585-74-0
- Other Names
-
- Acetophenone, 3'-methyl-
- m-Methylacetophenone
- Acetophenone, m-methyl-
- 3-Methylacetophenone
- 3'-Methylacetophenone
- 1-(3-Methylphenyl)-ethanone
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| PAff | 868.20 | kJ/mol | NIST |
| BasG | 836.40 | kJ/mol | NIST |
| ΔfG° | -1.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.31 | kJ/mol | Joback Calculated Property |
| IE | [8.85; 9.24] | eV |
|
| IE | 9.24 ± 0.02 | eV | NIST |
| IE | 8.85 | eV | NIST |
| IE | 9.15 ± 0.05 | eV | NIST |
| IE | 9.14 | eV | NIST |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.198 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Inp | [1132.00; 1192.00] |
|
|
| Inp | 1148.30 | NIST | |
| Inp | 1149.50 | NIST | |
| Inp | 1161.70 | NIST | |
| Inp | 1168.90 | NIST | |
| Inp | 1164.30 | NIST | |
| Inp | 1182.50 | NIST | |
| Inp | 1191.88 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1171.70 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1147.00 | NIST | |
| I | [1786.00; 1804.00] |
|
|
| I | 1804.00 | NIST | |
| I | 1786.00 | NIST | |
| Tboil | 493.20 | K | NIST |
| Tc | 710.50 | K | Joback Calculated Property |
| Tfus | 280.06 | K | Joback Calculated Property |
| Vc | 0.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.60; 298.20] | J/mol×K | [490.85; 710.50] |
|
| Cp,gas | 233.60 | J/mol×K | 490.85 | Joback Calculated Property |
| Cp,gas | 246.11 | J/mol×K | 527.46 | Joback Calculated Property |
| Cp,gas | 257.89 | J/mol×K | 564.07 | Joback Calculated Property |
| Cp,gas | 268.96 | J/mol×K | 600.67 | Joback Calculated Property |
| Cp,gas | 279.35 | J/mol×K | 637.28 | Joback Calculated Property |
| Cp,gas | 289.09 | J/mol×K | 673.89 | Joback Calculated Property |
| Cp,gas | 298.20 | J/mol×K | 710.50 | Joback Calculated Property |
| η | [0.0002611; 0.0021873] | Pa×s | [280.06; 490.85] |
|
| η | 0.0021873 | Pa×s | 280.06 | Joback Calculated Property |
| η | 0.0012598 | Pa×s | 315.19 | Joback Calculated Property |
| η | 0.0008105 | Pa×s | 350.32 | Joback Calculated Property |
| η | 0.0005651 | Pa×s | 385.45 | Joback Calculated Property |
| η | 0.0004185 | Pa×s | 420.59 | Joback Calculated Property |
| η | 0.0003246 | Pa×s | 455.72 | Joback Calculated Property |
| η | 0.0002611 | Pa×s | 490.85 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3-methylphenyl)-.
Sources
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