- InChI
- InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3
- InChI Key
- DIFWJJFSELKWGA-UHFFFAOYSA-N
- Formula
- C30H48O
- SMILES
-
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)C
CC(=O)C(C)(C)C5CCC43C)C2C1C - Molecular Weight1
- 424.70
- CAS
- 638-96-0
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5165 | Relay (... Calculated Property | |
| ΔfG° | 252.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.22 | kJ/mol | Relay (... Calculated Property |
| IE | 7.73 | eV | Relay (... Calculated Property |
| log10WS | -7.19 | Relay (... Calculated Property | |
| logPoct/wat | 8.233 | Crippen Calculated Property | |
| McVol | 376.530 | ml/mol | McGowan Calculated Property |
| Pc | 1003.35 | kPa | Joback Calculated Property |
| Inp | 3372.90 | NIST | |
| Tboil | 686.74 | K | Relay (... Calculated Property |
| Tc | 999.55 | K | Relay (... Calculated Property |
| Tfus | 467.81 | K | Relay (... Calculated Property |
| Vc | 1.362 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1511.94; 1933.33] | J/mol×K | [999.20; 1256.45] | 
|
| Cp,gas | 1511.94 | J/mol×K | 999.20 | Joback Calculated Property |
| Cp,gas | 1567.02 | J/mol×K | 1042.08 | Joback Calculated Property |
| Cp,gas | 1626.99 | J/mol×K | 1084.95 | Joback Calculated Property |
| Cp,gas | 1692.74 | J/mol×K | 1127.83 | Joback Calculated Property |
| Cp,gas | 1765.12 | J/mol×K | 1170.70 | Joback Calculated Property |
| Cp,gas | 1845.03 | J/mol×K | 1213.58 | Joback Calculated Property |
| Cp,gas | 1933.33 | J/mol×K | 1256.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Amyrone.
Sources
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