- InChI
- InChI=1S/C17H18O/c1-14(15-8-4-2-5-9-15)12-13-17(18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
- InChI Key
- NWTNYXHABGPXMO-UHFFFAOYSA-N
- Formula
- C17H18O
- SMILES
- CC(CCC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 238.32
- CAS
- 72256-08-7
- 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).
- 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° | 185.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 4.453 | Crippen Calculated Property | |
| McVol | 204.440 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | [2164.30; 2164.30] |
|
|
| Inp | 2164.30 | NIST | |
| Inp | 2164.30 | NIST | |
| Tboil | 695.15 | K | Joback Calculated Property |
| Tc | 931.51 | K | Joback Calculated Property |
| Tfus | 369.12 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.63; 631.14] | J/mol×K | [695.15; 931.51] |
|
| Cp,gas | 545.63 | J/mol×K | 695.15 | Joback Calculated Property |
| Cp,gas | 562.98 | J/mol×K | 734.54 | Joback Calculated Property |
| Cp,gas | 578.97 | J/mol×K | 773.94 | Joback Calculated Property |
| Cp,gas | 593.70 | J/mol×K | 813.33 | Joback Calculated Property |
| Cp,gas | 607.25 | J/mol×K | 852.72 | Joback Calculated Property |
| Cp,gas | 619.70 | J/mol×K | 892.12 | Joback Calculated Property |
| Cp,gas | 631.14 | J/mol×K | 931.51 | Joback Calculated Property |
| η | [0.0001297; 0.0022968] | Pa×s | [369.12; 695.15] |
|
| η | 0.0022968 | Pa×s | 369.12 | Joback Calculated Property |
| η | 0.0010462 | Pa×s | 423.46 | Joback Calculated Property |
| η | 0.0005699 | Pa×s | 477.80 | Joback Calculated Property |
| η | 0.0003514 | Pa×s | 532.13 | Joback Calculated Property |
| η | 0.0002370 | Pa×s | 586.47 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 640.81 | Joback Calculated Property |
| η | 0.0001297 | Pa×s | 695.15 | Joback Calculated Property |
Similar Compounds
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Sources
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