- InChI
- InChI=1S/C13H18O3/c1-2-3-4-5-11(14)6-10-7-12(15)9-13(16)8-10/h7-9,15-16H,2-6H2,1H3
- InChI Key
- UYOAKZGQLBHUHR-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- CCCCCC(=O)Cc1cc(O)cc(O)c1
- Molecular Weight1
- 222.28
- CAS
- 15601-09-9
- 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° | -267.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.790 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [2132.30; 2132.30] |
|
|
| Inp | 2132.30 | NIST | |
| Inp | 2132.30 | NIST | |
| Tboil | 738.63 | K | Joback Calculated Property |
| Tc | 961.47 | K | Joback Calculated Property |
| Tfus | 536.06 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.48; 593.77] | J/mol×K | [738.63; 961.47] |
|
| Cp,gas | 523.48 | J/mol×K | 738.63 | Joback Calculated Property |
| Cp,gas | 536.25 | J/mol×K | 775.77 | Joback Calculated Property |
| Cp,gas | 548.43 | J/mol×K | 812.91 | Joback Calculated Property |
| Cp,gas | 560.14 | J/mol×K | 850.05 | Joback Calculated Property |
| Cp,gas | 571.51 | J/mol×K | 887.19 | Joback Calculated Property |
| Cp,gas | 582.68 | J/mol×K | 924.33 | Joback Calculated Property |
| Cp,gas | 593.77 | J/mol×K | 961.47 | Joback Calculated Property |
| η | [0.0000012; 0.0000410] | Pa×s | [536.06; 738.63] |
|
| η | 0.0000410 | Pa×s | 536.06 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 569.82 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 603.58 | Joback Calculated Property |
| η | 0.0000054 | Pa×s | 637.35 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 671.11 | Joback Calculated Property |
| η | 0.0000019 | Pa×s | 704.87 | Joback Calculated Property |
| η | 0.0000012 | Pa×s | 738.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3,5-Dihydroxyphenyl)heptan-2-one.
Sources
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