- InChI
- InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h14,16-17,23H,3-13,15H2,1-2H3
- InChI Key
- XNBUKRQGYHYOOP-UHFFFAOYSA-N
- Formula
- C21H34O3
- SMILES
-
CCCCCCCCCCCC(=O)CCc1ccc(O)c(OC
)c1 - Molecular Weight1
- 334.49
- CAS
- 36700-48-8
- 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° | -159.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.45 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.823 | Crippen Calculated Property | |
| McVol | 296.300 | ml/mol | McGowan Calculated Property |
| Pc | 1348.67 | kPa | Joback Calculated Property |
| Inp | 2669.80 | NIST | |
| Tboil | 868.45 | K | Joback Calculated Property |
| Tc | 1071.88 | K | Joback Calculated Property |
| Tfus | 549.25 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [948.84; 1040.72] | J/mol×K | [868.45; 1071.88] | 
|
| Cp,gas | 948.84 | J/mol×K | 868.45 | Joback Calculated Property |
| Cp,gas | 966.07 | J/mol×K | 902.35 | Joback Calculated Property |
| Cp,gas | 982.43 | J/mol×K | 936.26 | Joback Calculated Property |
| Cp,gas | 998.00 | J/mol×K | 970.16 | Joback Calculated Property |
| Cp,gas | 1012.86 | J/mol×K | 1004.07 | Joback Calculated Property |
| Cp,gas | 1027.07 | J/mol×K | 1037.97 | Joback Calculated Property |
| Cp,gas | 1040.72 | J/mol×K | 1071.88 | Joback Calculated Property |
| η | [0.0000030; 0.0000954] | Pa×s | [549.25; 868.45] |
|
| η | 0.0000954 | Pa×s | 549.25 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 602.45 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 655.65 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 708.85 | Joback Calculated Property |
| η | 0.0000070 | Pa×s | 762.05 | Joback Calculated Property |
| η | 0.0000045 | Pa×s | 815.25 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 868.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Hydroxy-3-methoxyphenyl)tetradecan-3-one.
Sources
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