- InChI
- InChI=1S/C16H24O/c1-11(2)14-6-7-16(10-14)12(3)8-15(17-5)9-13(16)4/h8,13H,3,6-7,9-10H2,1-2,4-5H3/t13-,16?/m1/s1
- InChI Key
- MTLRUXVTDPIWGX-JBZHPUCOSA-N
- Formula
- C16H24O
- SMILES
-
C=C1C=C(OC)CC(C)C12CCC(=C(C)C)
C2 - Molecular Weight1
- 232.36
- 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° | 156.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 4.619 | Crippen Calculated Property | |
| McVol | 207.550 | ml/mol | McGowan Calculated Property |
| Pc | 1903.58 | kPa | Joback Calculated Property |
| Inp | 1693.00 | NIST | |
| Tboil | 628.52 | K | Joback Calculated Property |
| Tc | 850.41 | K | Joback Calculated Property |
| Tfus | 361.37 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.23; 672.53] | J/mol×K | [628.52; 850.41] | 
|
| Cp,gas | 561.23 | J/mol×K | 628.52 | Joback Calculated Property |
| Cp,gas | 582.15 | J/mol×K | 665.50 | Joback Calculated Property |
| Cp,gas | 601.94 | J/mol×K | 702.48 | Joback Calculated Property |
| Cp,gas | 620.74 | J/mol×K | 739.47 | Joback Calculated Property |
| Cp,gas | 638.68 | J/mol×K | 776.45 | Joback Calculated Property |
| Cp,gas | 655.89 | J/mol×K | 813.43 | Joback Calculated Property |
| Cp,gas | 672.53 | J/mol×K | 850.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxyspirovetiva-2,4(15),7(11)-triene.
Sources
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