![2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(2Z,4E)]]-](/cid/92-931-6/2-4-Pentadienoic-acid-5-8-hydroxy-1-5-dimethyl-3-oxo-6-oxabicyclo-3-2-1-oct-8-yl-3-methyl-1R-1-alpha-5-alpha-8S-2Z-4E.png "2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(2Z,4E)]]-")
- InChI
- InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+
- InChI Key
- IZGYIFFQBZWOLJ-UMCKCUICSA-N
- Formula
- C15H20O5
- SMILES
-
CC(C=CC1(O)C2(C)COC1(C)CC(=O)C
2)=CC(=O)O - Molecular Weight1
- 280.32
- CAS
- 24394-14-7
- Other Names
-
- 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-
- Phaseic acid
- 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(Z,E)]]-
- 6-Oxabicyclo[3.2.1]octane, 2,4-pentadienoic acid deriv.
- Me-phaseic acid
- 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 | 0.8031 | Relay (1.0) Calculated Property | |
| ΔfG° | -310.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.463 | Crippen Calculated Property | |
| McVol | 212.640 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | [2094.00; 2094.00] |
|
|
| Inp | 2094.00 | NIST | |
| Inp | 2094.00 | NIST | |
| Tboil | 595.83 | K | Relay (1.0) Calculated Property |
| Tc | 885.05 | K | Relay (1.0) Calculated Property |
| Tfus | 464.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.78; 867.28] | J/mol×K | [901.87; 1124.91] |
|
| Cp,gas | 709.78 | J/mol×K | 901.87 | Joback Calculated Property |
| Cp,gas | 730.53 | J/mol×K | 939.04 | Joback Calculated Property |
| Cp,gas | 753.00 | J/mol×K | 976.22 | Joback Calculated Property |
| Cp,gas | 777.56 | J/mol×K | 1013.39 | Joback Calculated Property |
| Cp,gas | 804.55 | J/mol×K | 1050.56 | Joback Calculated Property |
| Cp,gas | 834.34 | J/mol×K | 1087.74 | Joback Calculated Property |
| Cp,gas | 867.28 | J/mol×K | 1124.91 | Joback Calculated Property |
Similar Compounds
Sources
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