- InChI
- InChI=1S/C24H40O4/c1-17(12-16-27-18(2)25)9-10-21-23(6)14-8-13-22(4,5)20(23)11-15-24(21,7)28-19(3)26/h12,20-21H,8-11,13-16H2,1-7H3/b17-12+/t20?,21?,23-,24+/m1/s1
- InChI Key
- LDRJQXFQGSRDEB-IUBNAXQHSA-N
- Formula
- C24H40O4
- SMILES
-
CC(=O)OCC=C(C)CCC1C(C)(OC(C)=O
)CCC2C(C)(C)CCCC21C - Molecular Weight1
- 392.57
- 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° | -211.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.50 | kJ/mol | Joback Calculated Property |
| log10WS | -6.38 | Crippen Calculated Property | |
| logPoct/wat | 5.840 | Crippen Calculated Property | |
| McVol | 337.880 | ml/mol | McGowan Calculated Property |
| Pc | 1128.35 | kPa | Joback Calculated Property |
| Inp | 2505.00 | NIST | |
| Tboil | 922.41 | K | Joback Calculated Property |
| Tc | 1145.01 | K | Joback Calculated Property |
| Tfus | 566.30 | K | Joback Calculated Property |
| Vc | 1.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.00; 1385.61] | J/mol×K | [922.41; 1145.01] | 
|
| Cp,gas | 1187.00 | J/mol×K | 922.41 | Joback Calculated Property |
| Cp,gas | 1216.75 | J/mol×K | 959.51 | Joback Calculated Property |
| Cp,gas | 1247.40 | J/mol×K | 996.61 | Joback Calculated Property |
| Cp,gas | 1279.27 | J/mol×K | 1033.71 | Joback Calculated Property |
| Cp,gas | 1312.71 | J/mol×K | 1070.81 | Joback Calculated Property |
| Cp,gas | 1348.05 | J/mol×K | 1107.91 | Joback Calculated Property |
| Cp,gas | 1385.61 | J/mol×K | 1145.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to labda-13-(E)-en-8«alpha»-15yl acetate.
Sources
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