- InChI
- InChI=1S/C15H22O/c1-11-5-4-6-12(2)9-14-13(8-7-11)15(14,3)10-16/h5,9-10,13-14H,4,6-8H2,1-3H3/b11-5+,12-9-/t13-,14-,15?/m0/s1
- InChI Key
- PLERVCQIUZNKMR-FYJMDNOOSA-N
- Formula
- C15H22O
- SMILES
- CC1=CC2C(CCC(C)=CCC1)C2(C)C=O
- Molecular Weight1
- 218.33
- 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° | 64.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | [1741.00; 1741.00] |
|
|
| Inp | 1741.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Tboil | 629.94 | K | Joback Calculated Property |
| Tc | 858.86 | K | Joback Calculated Property |
| Tfus | 365.31 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.57; 640.69] | J/mol×K | [629.94; 858.86] |
|
| Cp,gas | 530.57 | J/mol×K | 629.94 | Joback Calculated Property |
| Cp,gas | 551.52 | J/mol×K | 668.09 | Joback Calculated Property |
| Cp,gas | 571.23 | J/mol×K | 706.25 | Joback Calculated Property |
| Cp,gas | 589.86 | J/mol×K | 744.40 | Joback Calculated Property |
| Cp,gas | 607.55 | J/mol×K | 782.55 | Joback Calculated Property |
| Cp,gas | 624.44 | J/mol×K | 820.71 | Joback Calculated Property |
| Cp,gas | 640.69 | J/mol×K | 858.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobicyclogermacrenal.
Sources
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