- InChI
- InChI=1S/C15H24O2/c1-12(2)10-5-7-13(3)8-6-11-14(4,16-11)15(13,9-10)17-12/h10-11H,5-9H2,1-4H3/t10-,11+,13-,14+,15-/m1/s1
- InChI Key
- SMVQLPPNRFDHMB-QFCKPIOYSA-N
- Formula
- C15H24O2
- SMILES
- CC1(C)OC23CC1CCC2(C)CCC1OC13C
- Molecular Weight1
- 236.35
- Other Names
-
- 3 «beta»,4 «beta»-Oxydoagarofuran
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4107 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.292 | Crippen Calculated Property | |
| McVol | 190.510 | ml/mol | McGowan Calculated Property |
| Pc | 2458.04 | kPa | Joback Calculated Property |
| Inp | 1685.00 | NIST | |
| I | [2282.00; 2322.00] |
|
|
| I | 2282.00 | NIST | |
| I | 2322.00 | NIST | |
| Tboil | 544.13 | K | Relay (1.0) Calculated Property |
| Tc | 801.06 | K | Relay (1.0) Calculated Property |
| Tfus | 383.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.762 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.87; 699.82] | J/mol×K | [619.35; 863.34] |
|
| Cp,gas | 573.87 | J/mol×K | 619.35 | Joback Calculated Property |
| Cp,gas | 595.50 | J/mol×K | 660.01 | Joback Calculated Property |
| Cp,gas | 615.99 | J/mol×K | 700.68 | Joback Calculated Property |
| Cp,gas | 635.99 | J/mol×K | 741.34 | Joback Calculated Property |
| Cp,gas | 656.19 | J/mol×K | 782.01 | Joback Calculated Property |
| Cp,gas | 677.24 | J/mol×K | 822.67 | Joback Calculated Property |
| Cp,gas | 699.82 | J/mol×K | 863.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-3 «beta»,4 «beta»-oxidoagarofuran.
Sources
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