- InChI
- InChI=1S/C15H18O4/c1-8-9-4-6-13(2)10(16)5-7-14(3)15(13,19-14)11(9)18-12(8)17/h5,7-9,11H,4,6H2,1-3H3/t8-,9-,11+,13-,14-,15+/m1/s1
- InChI Key
- MKYVUZFLXXNOMQ-SZLRVMPYSA-N
- Formula
- C15H18O4
- SMILES
-
CC1C(=O)OC2C1CCC1(C)C(=O)C=CC3
(C)OC231 - Molecular Weight1
- 262.30
- 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).
- 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 | 0.4656 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -626.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.631 | Crippen Calculated Property | |
| McVol | 189.350 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Tboil | 564.66 | K | Relay (1.0) Calculated Property |
| Tc | 853.70 | K | Relay (1.0) Calculated Property |
| Tfus | 404.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.62; 774.51] | J/mol×K | [758.18; 1025.38] | 
|
| Cp,gas | 624.62 | J/mol×K | 758.18 | Joback Calculated Property |
| Cp,gas | 646.49 | J/mol×K | 802.71 | Joback Calculated Property |
| Cp,gas | 668.82 | J/mol×K | 847.25 | Joback Calculated Property |
| Cp,gas | 692.21 | J/mol×K | 891.78 | Joback Calculated Property |
| Cp,gas | 717.23 | J/mol×K | 936.32 | Joback Calculated Property |
| Cp,gas | 744.47 | J/mol×K | 980.85 | Joback Calculated Property |
| Cp,gas | 774.51 | J/mol×K | 1025.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Oxo-4«alpha»,5«alpha»-epoxyeudesm-2-en-11«beta»H,12,6«alpha»-olid.
Sources
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