- InChI
- InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12?,13-,14?,17-,18?/m1/s1
- InChI Key
- ANPXCNWSCGYEMA-RVXBJCKXSA-N
- Formula
- C18H28O2
- SMILES
-
CC(=O)OCC1CCC(C)(C)C23CC4CC2C1
3C4(C)C - Molecular Weight1
- 276.41
- 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° | 76.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 4.038 | Crippen Calculated Property | |
| McVol | 228.480 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | [1782.00; 1782.00] |
|
|
| Inp | 1782.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Tboil | 697.17 | K | Joback Calculated Property |
| Tc | 921.17 | K | Joback Calculated Property |
| Tfus | 522.94 | K | Joback Calculated Property |
| Vc | 0.892 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.23; 857.44] | J/mol×K | [697.17; 921.17] |
|
| Cp,gas | 719.23 | J/mol×K | 697.17 | Joback Calculated Property |
| Cp,gas | 740.73 | J/mol×K | 734.50 | Joback Calculated Property |
| Cp,gas | 762.14 | J/mol×K | 771.84 | Joback Calculated Property |
| Cp,gas | 784.00 | J/mol×K | 809.17 | Joback Calculated Property |
| Cp,gas | 806.82 | J/mol×K | 846.50 | Joback Calculated Property |
| Cp,gas | 831.12 | J/mol×K | 883.84 | Joback Calculated Property |
| Cp,gas | 857.44 | J/mol×K | 921.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to amboryl (acetoxymethyl-isolongifolene) acetate.
Sources
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