- InChI
- InChI=1S/C16H14O3/c1-18-12-7-5-10-3-4-11-6-8-14(19-2)16(17)15(11)13(10)9-12/h3-9,17H,1-2H3
- InChI Key
- GKDSKCYMUUXQLA-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
- COc1ccc2ccc3ccc(OC)c(O)c3c2c1
- Molecular Weight1
- 254.28
- CAS
- 481-81-2
- Other Names
-
- 4-O-Thebaol
- 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° | 16.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 3.716 | Crippen Calculated Property | |
| McVol | 191.230 | ml/mol | McGowan Calculated Property |
| Pc | 2881.21 | kPa | Joback Calculated Property |
| Inp | [2522.00; 2522.00] |
|
|
| Inp | 2522.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Tboil | 770.52 | K | Joback Calculated Property |
| Tc | 1014.39 | K | Joback Calculated Property |
| Tfus | 555.64 | K | Joback Calculated Property |
| Vc | 0.669 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.31; 598.80] | J/mol×K | [770.52; 1014.39] |
|
| Cp,gas | 528.31 | J/mol×K | 770.52 | Joback Calculated Property |
| Cp,gas | 541.42 | J/mol×K | 811.16 | Joback Calculated Property |
| Cp,gas | 553.82 | J/mol×K | 851.81 | Joback Calculated Property |
| Cp,gas | 565.62 | J/mol×K | 892.45 | Joback Calculated Property |
| Cp,gas | 576.97 | J/mol×K | 933.10 | Joback Calculated Property |
| Cp,gas | 587.99 | J/mol×K | 973.74 | Joback Calculated Property |
| Cp,gas | 598.80 | J/mol×K | 1014.39 | Joback Calculated Property |
| η | [0.0000223; 0.0001548] | Pa×s | [555.64; 770.52] |
|
| η | 0.0001548 | Pa×s | 555.64 | Joback Calculated Property |
| η | 0.0001017 | Pa×s | 591.45 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 627.27 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 663.08 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 698.89 | Joback Calculated Property |
| η | 0.0000285 | Pa×s | 734.71 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 770.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-Dimethoxy-4-phenanthrol.
Sources
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