- InChI
- InChI=1S/C17H24O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h9,13-16H,1,5-8H2,2-4H3/t13?,14?,15?,16-,17+/m1/s1
- InChI Key
- OXDNGGSXVJGGNR-PPRXNKMGSA-N
- Formula
- C17H24O3
- SMILES
-
C=C1CCC(OC(C)=O)C2(C)CC3OC=C(C
)C3CC12 - Molecular Weight1
- 276.37
- 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).
- 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 | 0.4593 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.603 | Crippen Calculated Property | |
| McVol | 222.520 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| I | [2723.00; 2723.00] |
|
|
| I | 2723.00 | NIST | |
| I | 2723.00 | NIST | |
| Tboil | 599.65 | K | Relay (1.0) Calculated Property |
| Tc | 838.37 | K | Relay (1.0) Calculated Property |
| Tfus | 313.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.83; 801.33] | J/mol×K | [723.10; 949.18] |
|
| Cp,gas | 688.83 | J/mol×K | 723.10 | Joback Calculated Property |
| Cp,gas | 709.66 | J/mol×K | 760.78 | Joback Calculated Property |
| Cp,gas | 729.45 | J/mol×K | 798.46 | Joback Calculated Property |
| Cp,gas | 748.35 | J/mol×K | 836.14 | Joback Calculated Property |
| Cp,gas | 766.53 | J/mol×K | 873.82 | Joback Calculated Property |
| Cp,gas | 784.14 | J/mol×K | 911.50 | Joback Calculated Property |
| Cp,gas | 801.33 | J/mol×K | 949.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1«beta»-acetoxyfurano-4(15)-eudesmene.
Sources
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