- InChI
- InChI=1S/C13H20O3/c1-8(14)10-5-11-12(2,3)6-9(15)7-13(11,4)16-10/h5,8,10,14H,6-7H2,1-4H3/t8?,10?,13-/m0/s1
- InChI Key
- GQMVJMPTJNNDRV-RHYVWVDMSA-N
- Formula
- C13H20O3
- SMILES
-
CC(O)C1C=C2C(C)(C)CC(=O)CC2(C)
O1 - Molecular Weight1
- 224.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -202.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 1.840 | Crippen Calculated Property | |
| McVol | 181.320 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| I | [2476.00; 2476.00] |
|
|
| I | 2476.00 | NIST | |
| I | 2476.00 | NIST | |
| Tboil | 709.59 | K | Joback Calculated Property |
| Tc | 931.33 | K | Joback Calculated Property |
| Tfus | 459.04 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.07; 646.65] | J/mol×K | [709.59; 931.33] |
|
| Cp,gas | 548.07 | J/mol×K | 709.59 | Joback Calculated Property |
| Cp,gas | 564.84 | J/mol×K | 746.55 | Joback Calculated Property |
| Cp,gas | 581.20 | J/mol×K | 783.50 | Joback Calculated Property |
| Cp,gas | 597.35 | J/mol×K | 820.46 | Joback Calculated Property |
| Cp,gas | 613.50 | J/mol×K | 857.42 | Joback Calculated Property |
| Cp,gas | 629.87 | J/mol×K | 894.37 | Joback Calculated Property |
| Cp,gas | 646.65 | J/mol×K | 931.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-dihydro-3-oxoactinidol III.
Sources
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