- InChI
- InChI=1S/C19H28O4/c1-10-13-14-15(19(13,6)9-7-8-18(14,4)5)17(23-12(3)21)16(10)22-11(2)20/h13-17H,1,7-9H2,2-6H3/t13?,14?,15?,16-,17?,19?/m0/s1
- InChI Key
- SYNMREOKVHJLFP-ZZKWDYDOSA-N
- Formula
- C19H28O4
- SMILES
-
C=C1C(OC(C)=O)C(OC(C)=O)C2C3C1
C2(C)CCCC3(C)C - Molecular Weight1
- 320.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -189.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.498 | Crippen Calculated Property | |
| McVol | 256.570 | ml/mol | McGowan Calculated Property |
| Pc | 1558.58 | kPa | Joback Calculated Property |
| Inp | [1856.00; 1856.00] |
|
|
| Inp | 1856.00 | NIST | |
| Inp | 1856.00 | NIST | |
| Tboil | 796.42 | K | Joback Calculated Property |
| Tc | 1014.11 | K | Joback Calculated Property |
| Tfus | 539.51 | K | Joback Calculated Property |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.15; 975.55] | J/mol×K | [796.42; 1014.11] |
|
| Cp,gas | 845.15 | J/mol×K | 796.42 | Joback Calculated Property |
| Cp,gas | 866.94 | J/mol×K | 832.70 | Joback Calculated Property |
| Cp,gas | 888.41 | J/mol×K | 868.98 | Joback Calculated Property |
| Cp,gas | 909.79 | J/mol×K | 905.27 | Joback Calculated Property |
| Cp,gas | 931.29 | J/mol×K | 941.55 | Joback Calculated Property |
| Cp,gas | 953.13 | J/mol×K | 977.83 | Joback Calculated Property |
| Cp,gas | 975.55 | J/mol×K | 1014.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-5-Hydroxymarsupellol acetate.
Sources
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