- InChI
- InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h9-10,12-13,16-17H,5-8H2,1-4H3/t12?,13-,14-,15+/m0/s1
- InChI Key
- RGIVMNUHSHEEPN-WIGRTHMWSA-N
- Formula
- C15H26O2
- SMILES
-
CC(C)C1=CC2C(C)(O)CCC(O)C2(C)C
C1 - Molecular Weight1
- 238.37
- 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.
- I : 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 | 0.5995 | Relay (... Calculated Property | |
| ΔfG° | -133.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -2.96 | Relay (... Calculated Property | |
| logPoct/wat | 2.891 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1784.00; 1784.00] |
|
|
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| I | [2550.00; 2550.00] |
|
|
| I | 2550.00 | NIST | |
| I | 2550.00 | NIST | |
| Tboil | 573.05 | K | Relay (... Calculated Property |
| Tc | 810.10 | K | Relay (... Calculated Property |
| Tfus | 380.58 | K | Relay (... Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.47; 765.75] | J/mol×K | [752.36; 953.34] |
|
| Cp,gas | 662.47 | J/mol×K | 752.36 | Joback Calculated Property |
| Cp,gas | 679.86 | J/mol×K | 785.86 | Joback Calculated Property |
| Cp,gas | 696.94 | J/mol×K | 819.35 | Joback Calculated Property |
| Cp,gas | 713.89 | J/mol×K | 852.85 | Joback Calculated Property |
| Cp,gas | 730.89 | J/mol×K | 886.35 | Joback Calculated Property |
| Cp,gas | 748.12 | J/mol×K | 919.84 | Joback Calculated Property |
| Cp,gas | 765.75 | J/mol×K | 953.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eudesm-6-en-1«beta»,4«beta»-diol (Isoplodiol).
Sources
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