- InChI
- InChI=1S/C16H26O2/c1-12-7-6-8-14(4)15(12)9-10-16(11-15,18-14)13(2,3)17-5/h6,8,12H,7,9-11H2,1-5H3/t12-,14+,15?,16?/m1/s1
- InChI Key
- DPCMNLDHVSKLRP-YUCHNRCRSA-N
- Formula
- C16H26O2
- SMILES
-
COC(C)(C)C12CCC3(C1)C(C)CC=CC3
(C)O2 - Molecular Weight1
- 250.38
- 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° | 59.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.705 | Crippen Calculated Property | |
| McVol | 211.160 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1595.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Tboil | 635.59 | K | Joback Calculated Property |
| Tc | 872.70 | K | Joback Calculated Property |
| Tfus | 436.30 | K | Joback Calculated Property |
| Vc | 0.793 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.01; 745.18] | J/mol×K | [635.59; 872.70] |
|
| Cp,gas | 620.01 | J/mol×K | 635.59 | Joback Calculated Property |
| Cp,gas | 642.14 | J/mol×K | 675.11 | Joback Calculated Property |
| Cp,gas | 663.12 | J/mol×K | 714.63 | Joback Calculated Property |
| Cp,gas | 683.43 | J/mol×K | 754.15 | Joback Calculated Property |
| Cp,gas | 703.56 | J/mol×K | 793.67 | Joback Calculated Property |
| Cp,gas | 723.98 | J/mol×K | 833.18 | Joback Calculated Property |
| Cp,gas | 745.18 | J/mol×K | 872.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-«alpha»,7-Epoxy-11-methoxy-10-«beta»-H-spirovetiv-2-ene.
Sources
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