- InChI
- InChI=1S/C16H26O/c1-12(11-17-4)15-8-9-16(10-15)13(2)6-5-7-14(16)3/h6,14H,5,7-11H2,1-4H3/b15-12-/t14?,16-/m0/s1
- InChI Key
- KBMCUYFXPKAOSR-VYJYERQJSA-N
- Formula
- C16H26O
- SMILES
- COCC(C)=C1CCC2(C1)C(C)=CCCC2C
- Molecular Weight1
- 234.38
- 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° | 103.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 4.496 | Crippen Calculated Property | |
| McVol | 211.850 | ml/mol | McGowan Calculated Property |
| Pc | 1872.41 | kPa | Joback Calculated Property |
| Inp | 1728.00 | NIST | |
| Tboil | 629.36 | K | Joback Calculated Property |
| Tc | 849.45 | K | Joback Calculated Property |
| Tfus | 347.69 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.03; 700.78] | J/mol×K | [629.36; 849.45] | 
|
| Cp,gas | 584.03 | J/mol×K | 629.36 | Joback Calculated Property |
| Cp,gas | 606.03 | J/mol×K | 666.04 | Joback Calculated Property |
| Cp,gas | 626.82 | J/mol×K | 702.72 | Joback Calculated Property |
| Cp,gas | 646.55 | J/mol×K | 739.40 | Joback Calculated Property |
| Cp,gas | 665.35 | J/mol×K | 776.08 | Joback Calculated Property |
| Cp,gas | 683.39 | J/mol×K | 812.77 | Joback Calculated Property |
| Cp,gas | 700.78 | J/mol×K | 849.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Spirovetiva-3,7(11)-dien-12-yl methyl ether.
Sources
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