- InChI
- InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3
- InChI Key
- LIIFBMGUDSHTOU-UHFFFAOYSA-N
- Formula
- C30H48O
- SMILES
-
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(
C)CCC(=O)C(C)(C)C5CCC43C)C2C1 - Molecular Weight1
- 424.70
- CAS
- 638-97-1
- 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).
- 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° | 254.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.20 | kJ/mol | Joback Calculated Property |
| log10WS | -8.81 | Crippen Calculated Property | |
| logPoct/wat | 8.377 | Crippen Calculated Property | |
| McVol | 376.530 | ml/mol | McGowan Calculated Property |
| Pc | 1054.83 | kPa | Joback Calculated Property |
| Inp | 3327.50 | NIST | |
| Tboil | 1004.11 | K | Joback Calculated Property |
| Tc | 1267.56 | K | Joback Calculated Property |
| Tfus | 700.86 | K | Joback Calculated Property |
| Vc | 1.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1519.20; 2024.95] | J/mol×K | [1004.11; 1267.56] | 
|
| Cp,gas | 1519.20 | J/mol×K | 1004.11 | Joback Calculated Property |
| Cp,gas | 1582.44 | J/mol×K | 1048.02 | Joback Calculated Property |
| Cp,gas | 1652.62 | J/mol×K | 1091.93 | Joback Calculated Property |
| Cp,gas | 1730.86 | J/mol×K | 1135.84 | Joback Calculated Property |
| Cp,gas | 1818.26 | J/mol×K | 1179.75 | Joback Calculated Property |
| Cp,gas | 1915.92 | J/mol×K | 1223.65 | Joback Calculated Property |
| Cp,gas | 2024.95 | J/mol×K | 1267.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Amyrone.
Sources
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