- InChI
- InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
- InChI Key
- MAHPVQDVMLWUAG-UHFFFAOYSA-N
- Formula
- C12H16O
- SMILES
- CCCCCC(=O)c1ccccc1
- Molecular Weight1
- 176.25
- CAS
- 942-92-7
- Other Names
-
- Hexanophenone
- Caprophenone
- Hexaphenone
- Pentyl phenyl ketone
- 1-Phenyl-1-hexanone
- n-Amylphenyl ketone
- n-Hexanophenone
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 33.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.450 | Crippen Calculated Property | |
| McVol | 157.750 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [1426.00; 1482.40] |
|
|
| Inp | 1426.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1478.70 | NIST | |
| Inp | 1459.90 | NIST | |
| Inp | 1470.80 | NIST | |
| Inp | 1482.40 | NIST | |
| Inp | 1467.70 | NIST | |
| Inp | 1475.70 | NIST | |
| Inp | 1431.00 | NIST | |
| Inp | 1437.00 | NIST | |
| Inp | 1426.00 | NIST | |
| Inp | 1437.00 | NIST | |
| Inp | 1478.70 | NIST | |
| Inp | 1475.70 | NIST | |
| Inp | 1431.00 | NIST | |
| Tboil | 538.20 | K | NIST |
| Tc | 762.63 | K | Joback Calculated Property |
| Tfus | 301.35 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.41; 448.79] | J/mol×K | [554.51; 762.63] |
|
| Cp,gas | 368.41 | J/mol×K | 554.51 | Joback Calculated Property |
| Cp,gas | 383.97 | J/mol×K | 589.20 | Joback Calculated Property |
| Cp,gas | 398.61 | J/mol×K | 623.88 | Joback Calculated Property |
| Cp,gas | 412.38 | J/mol×K | 658.57 | Joback Calculated Property |
| Cp,gas | 425.31 | J/mol×K | 693.25 | Joback Calculated Property |
| Cp,gas | 437.43 | J/mol×K | 727.94 | Joback Calculated Property |
| Cp,gas | 448.79 | J/mol×K | 762.63 | Joback Calculated Property |
| η | [0.0002268; 0.0030718] | Pa×s | [301.35; 554.51] |
|
| η | 0.0030718 | Pa×s | 301.35 | Joback Calculated Property |
| η | 0.0015239 | Pa×s | 343.54 | Joback Calculated Property |
| η | 0.0008813 | Pa×s | 385.74 | Joback Calculated Property |
| η | 0.0005678 | Pa×s | 427.93 | Joback Calculated Property |
| η | 0.0003958 | Pa×s | 470.12 | Joback Calculated Property |
| η | 0.0002929 | Pa×s | 512.32 | Joback Calculated Property |
| η | 0.0002268 | Pa×s | 554.51 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 396.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Hexanone, 1-phenyl-.
Sources
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