- InChI
- InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6H,3,5,7-9H2,1-2,4H3
- InChI Key
- CVMCLMIPPLWKLI-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=C(CCC=C(C)C)CCOC(C)=O
- Molecular Weight1
- 196.29
- 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° | -32.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.242 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 1276.00 | NIST | |
| Tboil | 550.85 | K | Joback Calculated Property |
| Tc | 736.37 | K | Joback Calculated Property |
| Tfus | 262.40 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.51; 506.56] | J/mol×K | [550.85; 736.37] | 
|
| Cp,gas | 425.51 | J/mol×K | 550.85 | Joback Calculated Property |
| Cp,gas | 440.72 | J/mol×K | 581.77 | Joback Calculated Property |
| Cp,gas | 455.22 | J/mol×K | 612.69 | Joback Calculated Property |
| Cp,gas | 469.03 | J/mol×K | 643.61 | Joback Calculated Property |
| Cp,gas | 482.17 | J/mol×K | 674.53 | Joback Calculated Property |
| Cp,gas | 494.67 | J/mol×K | 705.45 | Joback Calculated Property |
| Cp,gas | 506.56 | J/mol×K | 736.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-isogeranyl acetate.
Sources
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