- InChI
- InChI=1S/C17H28O2/c1-12-7-6-9-17(5)10-8-14(11-15(12)17)16(3,4)19-13(2)18/h7,14-15H,6,8-11H2,1-5H3/t14-,15?,17-/m0/s1
- InChI Key
- DGEOCHVUGVJYQB-AYWPPYMVSA-N
- Formula
- C17H28O2
- SMILES
-
CC(=O)OC(C)(C)C1CCC2(C)CCC=C(C
)C2C1 - Molecular Weight1
- 264.40
- 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.
- 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 | 0.4515 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.491 | Crippen Calculated Property | |
| McVol | 231.810 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [1748.00; 1795.00] |
|
|
| Inp | 1785.00 | NIST | |
| Inp | 1795.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Inp | 1779.00 | NIST | |
| Inp | 1779.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Tboil | 568.83 | K | Relay (1.0) Calculated Property |
| Tc | 795.75 | K | Relay (1.0) Calculated Property |
| Tfus | 276.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.68; 813.02] | J/mol×K | [691.69; 916.62] |
|
| Cp,gas | 693.68 | J/mol×K | 691.69 | Joback Calculated Property |
| Cp,gas | 716.12 | J/mol×K | 729.18 | Joback Calculated Property |
| Cp,gas | 737.32 | J/mol×K | 766.67 | Joback Calculated Property |
| Cp,gas | 757.44 | J/mol×K | 804.16 | Joback Calculated Property |
| Cp,gas | 776.66 | J/mol×K | 841.65 | Joback Calculated Property |
| Cp,gas | 795.13 | J/mol×K | 879.14 | Joback Calculated Property |
| Cp,gas | 813.02 | J/mol×K | 916.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Eudesmol acetate.
Sources
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