- InChI
- InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h9-10,15H,6-8,11-14H2,1-5H3/t15?,19?,20-/m0/s1
- InChI Key
- AOTWRLFKPQTVQG-OAAAQFAESA-N
- Formula
- C20H32
- SMILES
-
CCC1(C)CC=C2C(CC=C3C(C)(C)CCCC
23C)C1 - Molecular Weight1
- 272.47
- 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° | 255.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.86 | kJ/mol | Joback Calculated Property |
| log10WS | -6.62 | Crippen Calculated Property | |
| logPoct/wat | 6.286 | Crippen Calculated Property | |
| McVol | 251.480 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | 1909.00 | NIST | |
| Tboil | 702.90 | K | Joback Calculated Property |
| Tc | 940.36 | K | Joback Calculated Property |
| Tfus | 445.40 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.56; 915.36] | J/mol×K | [702.90; 940.36] | 
|
| Cp,gas | 761.56 | J/mol×K | 702.90 | Joback Calculated Property |
| Cp,gas | 787.30 | J/mol×K | 742.48 | Joback Calculated Property |
| Cp,gas | 812.41 | J/mol×K | 782.05 | Joback Calculated Property |
| Cp,gas | 837.32 | J/mol×K | 821.63 | Joback Calculated Property |
| Cp,gas | 862.48 | J/mol×K | 861.21 | Joback Calculated Property |
| Cp,gas | 888.35 | J/mol×K | 900.78 | Joback Calculated Property |
| Cp,gas | 915.36 | J/mol×K | 940.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimara-9(11),5-diene.
Sources
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