- InChI
- InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)15-8-7-13(2)16(17)10-15/h6-7,15-16H,5,8-11H2,1-4H3/b12-6-/t15-,16-,17+/m1/s1
- InChI Key
- BDYQEBZJCFGMCH-VHBUNTFRSA-N
- Formula
- C17H26O2
- SMILES
-
CC(=O)OCC(C)=CCCC1(C)C2CC=C(C)
C1C2 - Molecular Weight1
- 262.39
- 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° | 46.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.268 | Crippen Calculated Property | |
| McVol | 227.510 | ml/mol | McGowan Calculated Property |
| Pc | 1694.90 | kPa | Joback Calculated Property |
| Inp | 1801.00 | NIST | |
| Tboil | 686.15 | K | Joback Calculated Property |
| Tc | 892.39 | K | Joback Calculated Property |
| Tfus | 399.77 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [659.76; 763.66] | J/mol×K | [686.15; 892.39] | 
|
| Cp,gas | 659.76 | J/mol×K | 686.15 | Joback Calculated Property |
| Cp,gas | 678.74 | J/mol×K | 720.52 | Joback Calculated Property |
| Cp,gas | 696.87 | J/mol×K | 754.90 | Joback Calculated Property |
| Cp,gas | 714.28 | J/mol×K | 789.27 | Joback Calculated Property |
| Cp,gas | 731.12 | J/mol×K | 823.64 | Joback Calculated Property |
| Cp,gas | 747.53 | J/mol×K | 858.02 | Joback Calculated Property |
| Cp,gas | 763.66 | J/mol×K | 892.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-«alpha»-bergamatol acetate.
Sources
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