- InChI
- InChI=1S/C15H20O2/c1-9(2)11-7-12-10(3)13(16)5-6-15(12,4)8-14(11)17/h7,9H,5-6,8H2,1-4H3/t15-/m0/s1
- InChI Key
- LLOYUVLMNHQEFN-HNNXBMFYSA-N
- Formula
- C15H20O2
- SMILES
-
CC1=C2C=C(C(C)C)C(=O)CC2(C)CCC
1=O - Molecular Weight1
- 232.32
- 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 | 0.4534 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.227 | Crippen Calculated Property | |
| McVol | 195.030 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | 1833.00 | NIST | |
| I | 2492.00 | NIST | |
| Tboil | 556.20 | K | Relay (1.0) Calculated Property |
| Tc | 803.29 | K | Relay (1.0) Calculated Property |
| Tfus | 385.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.21; 677.92] | J/mol×K | [726.53; 974.95] | 
|
| Cp,gas | 571.21 | J/mol×K | 726.53 | Joback Calculated Property |
| Cp,gas | 590.99 | J/mol×K | 767.93 | Joback Calculated Property |
| Cp,gas | 609.82 | J/mol×K | 809.34 | Joback Calculated Property |
| Cp,gas | 627.80 | J/mol×K | 850.74 | Joback Calculated Property |
| Cp,gas | 645.07 | J/mol×K | 892.14 | Joback Calculated Property |
| Cp,gas | 661.74 | J/mol×K | 933.55 | Joback Calculated Property |
| Cp,gas | 677.92 | J/mol×K | 974.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-Eudesmadiene-3,8-dione.
Sources
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