- InChI
- InChI=1S/C17H26O/c1-11(2)14-7-8-17(10-14)12(3)9-15(18)16(5,6)13(17)4/h12H,4,7-10H2,1-3,5-6H3/t12-,17?/m1/s1
- InChI Key
- GVPVNMWWAQFAJO-MTATWXBHSA-N
- Formula
- C17H26O
- SMILES
-
C=C1C(C)(C)C(=O)CC(C)C12CCC(=C
(C)C)C2 - Molecular Weight1
- 246.39
- 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° | 114.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 4.684 | Crippen Calculated Property | |
| McVol | 221.640 | ml/mol | McGowan Calculated Property |
| Pc | 1818.50 | kPa | Joback Calculated Property |
| Inp | 1782.00 | NIST | |
| Tboil | 688.23 | K | Joback Calculated Property |
| Tc | 926.10 | K | Joback Calculated Property |
| Tfus | 425.01 | K | Joback Calculated Property |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [646.57; 776.33] | J/mol×K | [688.23; 926.10] | 
|
| Cp,gas | 646.57 | J/mol×K | 688.23 | Joback Calculated Property |
| Cp,gas | 669.48 | J/mol×K | 727.88 | Joback Calculated Property |
| Cp,gas | 691.54 | J/mol×K | 767.52 | Joback Calculated Property |
| Cp,gas | 712.99 | J/mol×K | 807.17 | Joback Calculated Property |
| Cp,gas | 734.09 | J/mol×K | 846.81 | Joback Calculated Property |
| Cp,gas | 755.12 | J/mol×K | 886.46 | Joback Calculated Property |
| Cp,gas | 776.33 | J/mol×K | 926.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethylspirovetiva-4(15),7(11)-dien-2-one.
Sources
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