- InChI
- InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h12,14-15,21H,3-11,13H2,1-2H3
- InChI Key
- TYQRTQZWHUXDLG-UHFFFAOYSA-N
- Formula
- C19H30O3
- SMILES
-
CCCCCCCCCC(=O)CCc1ccc(O)c(OC)c
1 - Molecular Weight1
- 306.44
- CAS
- 27113-23-1
- 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° | -176.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 5.043 | Crippen Calculated Property | |
| McVol | 268.120 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [2424.00; 2459.10] |
|
|
| Inp | 2424.00 | NIST | |
| Inp | 2424.00 | NIST | |
| Inp | 2459.10 | NIST | |
| Inp | 2459.10 | NIST | |
| Tboil | 822.69 | K | Joback Calculated Property |
| Tc | 1024.97 | K | Joback Calculated Property |
| Tfus | 526.71 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [830.00; 917.44] | J/mol×K | [822.69; 1024.97] |
|
| Cp,gas | 830.00 | J/mol×K | 822.69 | Joback Calculated Property |
| Cp,gas | 846.45 | J/mol×K | 856.40 | Joback Calculated Property |
| Cp,gas | 862.07 | J/mol×K | 890.12 | Joback Calculated Property |
| Cp,gas | 876.91 | J/mol×K | 923.83 | Joback Calculated Property |
| Cp,gas | 891.04 | J/mol×K | 957.55 | Joback Calculated Property |
| Cp,gas | 904.53 | J/mol×K | 991.26 | Joback Calculated Property |
| Cp,gas | 917.44 | J/mol×K | 1024.97 | Joback Calculated Property |
| η | [0.0000046; 0.0001360] | Pa×s | [526.71; 822.69] |
|
| η | 0.0001360 | Pa×s | 526.71 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 576.04 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 625.37 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 674.70 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 724.03 | Joback Calculated Property |
| η | 0.0000067 | Pa×s | 773.36 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 822.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Hydroxy-3-methoxyphenyl)dodecan-3-one.
Sources
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