- InChI
- InChI=1S/C18H22O2/c1-20-12-3-5-13-11(10-12)2-4-15-14(13)6-7-17-16(15)8-9-18(17)19/h3,5,10,14-17H,2,4,6-9H2,1H3/t14?,15?,16?,17-/m0/s1
- InChI Key
- GDDDQTOBTQTTJD-GZUIOVLMSA-N
- Formula
- C18H22O2
- SMILES
-
COc1ccc2c(c1)CCC1C2CCC2C(=O)CC
C21 - Molecular Weight1
- 270.37
- CAS
- 4248-04-8
- Other Names
-
- 13«alpha»-Gona-1,3,5(10)-trien-17-one, 3-methoxy-
- 3-Methoxy-13-«alpha»-gona-1,3,5(10)-trien-17-one
- 3-Methoxygona-1,3,5(10)-trien-17-one, (13«alpha»)-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | 116.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 3.730 | Crippen Calculated Property | |
| McVol | 215.580 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Tboil | 762.21 | K | Joback Calculated Property |
| Tc | 1008.42 | K | Joback Calculated Property |
| Tfus | 477.07 | K | Joback Calculated Property |
| Vc | 0.815 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.38; 793.21] | J/mol×K | [762.21; 1008.42] | 
|
| Cp,gas | 688.38 | J/mol×K | 762.21 | Joback Calculated Property |
| Cp,gas | 709.57 | J/mol×K | 803.24 | Joback Calculated Property |
| Cp,gas | 729.15 | J/mol×K | 844.28 | Joback Calculated Property |
| Cp,gas | 747.21 | J/mol×K | 885.31 | Joback Calculated Property |
| Cp,gas | 763.85 | J/mol×K | 926.35 | Joback Calculated Property |
| Cp,gas | 779.15 | J/mol×K | 967.38 | Joback Calculated Property |
| Cp,gas | 793.21 | J/mol×K | 1008.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Gona-1,3,5(10)-trien-17-one, 3-methoxy-, (13«alpha»)-.
Sources
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