- InChI
- InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8-10,13-15H,5-7H2,1-3H3/t13-,14?,15?/m1/s1
- InChI Key
- XOJRZWAZKRAFFU-WLYUNCDWSA-N
- Formula
- C15H22O
- SMILES
- CC1=CCC(C(C)C)C2C=C(C=O)CCC12
- Molecular Weight1
- 218.33
- ω : Acentric Factor.
- 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).
- 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 | 0.3739 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.760 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [1692.00; 1692.00] |
|
|
| Inp | 1692.00 | NIST | |
| Inp | 1692.00 | NIST | |
| Tboil | 567.80 | K | Relay (1.0) Calculated Property |
| Tc | 803.47 | K | Relay (1.0) Calculated Property |
| Tfus | 312.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.53; 636.68] | J/mol×K | [624.99; 842.80] |
|
| Cp,gas | 531.53 | J/mol×K | 624.99 | Joback Calculated Property |
| Cp,gas | 552.07 | J/mol×K | 661.29 | Joback Calculated Property |
| Cp,gas | 571.34 | J/mol×K | 697.59 | Joback Calculated Property |
| Cp,gas | 589.38 | J/mol×K | 733.89 | Joback Calculated Property |
| Cp,gas | 606.26 | J/mol×K | 770.20 | Joback Calculated Property |
| Cp,gas | 622.01 | J/mol×K | 806.50 | Joback Calculated Property |
| Cp,gas | 636.68 | J/mol×K | 842.80 | Joback Calculated Property |
| η | [0.0004322; 0.0025245] | Pa×s | [329.93; 624.99] |
|
| η | 0.0025245 | Pa×s | 329.93 | Joback Calculated Property |
| η | 0.0015545 | Pa×s | 379.11 | Joback Calculated Property |
| η | 0.0010699 | Pa×s | 428.28 | Joback Calculated Property |
| η | 0.0007953 | Pa×s | 477.46 | Joback Calculated Property |
| η | 0.0006249 | Pa×s | 526.64 | Joback Calculated Property |
| η | 0.0005116 | Pa×s | 575.81 | Joback Calculated Property |
| η | 0.0004322 | Pa×s | 624.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Amorpha-4,9-dien-14-al.
Sources
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