- InChI
- InChI=1S/C14H20O3/c1-5-14(4)7-6-11(17-14)13-10(15)8-12(16-13)9(2)3/h5,11-13H,1-2,6-8H2,3-4H3/t11-,12?,13-,14-/m1/s1
- InChI Key
- JFVWSTQFYSQOMC-ZXCYLUJYSA-N
- Formula
- C14H20O3
- SMILES
-
C=CC1(C)CCC(C2OC(C(=C)C)CC2=O)
O1 - Molecular Weight1
- 236.31
- 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° | -8.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.413 | Crippen Calculated Property | |
| McVol | 191.110 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | 1526.00 | NIST | |
| Tboil | 656.14 | K | Joback Calculated Property |
| Tc | 894.30 | K | Joback Calculated Property |
| Tfus | 388.64 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.91; 667.88] | J/mol×K | [656.14; 894.30] | 
|
| Cp,gas | 555.91 | J/mol×K | 656.14 | Joback Calculated Property |
| Cp,gas | 577.19 | J/mol×K | 695.83 | Joback Calculated Property |
| Cp,gas | 597.23 | J/mol×K | 735.53 | Joback Calculated Property |
| Cp,gas | 616.18 | J/mol×K | 775.22 | Joback Calculated Property |
| Cp,gas | 634.17 | J/mol×K | 814.91 | Joback Calculated Property |
| Cp,gas | 651.36 | J/mol×K | 854.61 | Joback Calculated Property |
| Cp,gas | 667.88 | J/mol×K | 894.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Laciniatafuranone A.
Sources
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