- InChI
- InChI=1S/C19H28O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,22H,3-9,11,14H2,1-2H3
- InChI Key
- QDSRAFNZQKMHPZ-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCCCCCC(=O)CC(=O)CCc1ccc(O)c(
OC)c1 - Molecular Weight1
- 320.42
- CAS
- 77334-06-6
- 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° | -305.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 4.222 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1641.76 | kPa | Joback Calculated Property |
| Inp | [2560.10; 2560.10] |
|
|
| Inp | 2560.10 | NIST | |
| Inp | 2560.10 | NIST | |
| Tboil | 876.56 | K | Joback Calculated Property |
| Tc | 1086.43 | K | Joback Calculated Property |
| Tfus | 576.64 | K | Joback Calculated Property |
| Vc | 0.988 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.98; 927.13] | J/mol×K | [876.56; 1086.43] |
|
| Cp,gas | 846.98 | J/mol×K | 876.56 | Joback Calculated Property |
| Cp,gas | 862.11 | J/mol×K | 911.54 | Joback Calculated Property |
| Cp,gas | 876.43 | J/mol×K | 946.52 | Joback Calculated Property |
| Cp,gas | 890.03 | J/mol×K | 981.49 | Joback Calculated Property |
| Cp,gas | 902.96 | J/mol×K | 1016.47 | Joback Calculated Property |
| Cp,gas | 915.31 | J/mol×K | 1051.45 | Joback Calculated Property |
| Cp,gas | 927.13 | J/mol×K | 1086.43 | Joback Calculated Property |
| η | [0.0000038; 0.0000829] | Pa×s | [576.64; 876.56] |
|
| η | 0.0000829 | Pa×s | 576.64 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 626.63 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 676.61 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 726.60 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 776.59 | Joback Calculated Property |
| η | 0.0000054 | Pa×s | 826.57 | Joback Calculated Property |
| η | 0.0000038 | Pa×s | 876.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Hydroxy-3-methoxyphenyl)dodecane-3,5-dione.
Sources
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