- InChI
- InChI=1S/C22H36O3/c1-8-20(5)13-10-16-21(6)12-9-11-19(3,4)17(21)14-18(24-15(2)23)22(16,7)25-20/h8,16-18H,1,9-14H2,2-7H3/t16?,17?,18-,20?,21?,22?/m1/s1
- InChI Key
- CTROLPKOIMLOHG-BYFCMQGQSA-N
- Formula
- C22H36O3
- SMILES
-
C=CC1(C)CCC2C3(C)CCCC(C)(C)C3C
C(OC(C)=O)C2(C)O1 - Molecular Weight1
- 348.52
- 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° | -28.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 5.284 | Crippen Calculated Property | |
| McVol | 297.270 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | 2376.00 | NIST | |
| Tboil | 826.53 | K | Joback Calculated Property |
| Tc | 1061.68 | K | Joback Calculated Property |
| Tfus | 549.53 | K | Joback Calculated Property |
| Vc | 1.113 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.62; 1218.33] | J/mol×K | [826.53; 1061.68] | 
|
| Cp,gas | 1013.62 | J/mol×K | 826.53 | Joback Calculated Property |
| Cp,gas | 1043.68 | J/mol×K | 865.72 | Joback Calculated Property |
| Cp,gas | 1074.67 | J/mol×K | 904.91 | Joback Calculated Property |
| Cp,gas | 1107.11 | J/mol×K | 944.11 | Joback Calculated Property |
| Cp,gas | 1141.53 | J/mol×K | 983.30 | Joback Calculated Property |
| Cp,gas | 1178.43 | J/mol×K | 1022.49 | Joback Calculated Property |
| Cp,gas | 1218.33 | J/mol×K | 1061.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«beta»-acetoxy manoyl oxide.
Sources
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