- InChI
- InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3
- InChI Key
- BCTDJPZNMXPMIA-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- C=C(COC(C)=O)C1CC=C(C)CC1
- Molecular Weight1
- 194.27
- CAS
- 15111-97-4
- Other Names
-
- p-mentha-1,8-dien-9-yl acetate
- 10-Limonenyl acetate
- p-mentha-1,8-dien-10-yl acetate
- 10-Limonenol, acetate
- limonene-10-yl acetate
- 4-methyl-«beta»-methylenecyclohex-3-ene-1-ethyl acetate
- 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.
- I : 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° | -59.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.852 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | [1395.00; 1395.00] |
|
|
| Inp | 1395.00 | NIST | |
| Inp | 1395.00 | NIST | |
| I | [1846.00; 1856.00] |
|
|
| I | 1855.00 | NIST | |
| I | 1856.00 | NIST | |
| I | 1854.00 | NIST | |
| I | 1846.00 | NIST | |
| Tboil | 570.50 | K | Joback Calculated Property |
| Tc | 780.42 | K | Joback Calculated Property |
| Tfus | 302.10 | K | Joback Calculated Property |
| Vc | 0.632 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.43; 505.45] | J/mol×K | [570.50; 780.42] |
|
| Cp,gas | 414.43 | J/mol×K | 570.50 | Joback Calculated Property |
| Cp,gas | 431.91 | J/mol×K | 605.49 | Joback Calculated Property |
| Cp,gas | 448.44 | J/mol×K | 640.47 | Joback Calculated Property |
| Cp,gas | 464.04 | J/mol×K | 675.46 | Joback Calculated Property |
| Cp,gas | 478.73 | J/mol×K | 710.45 | Joback Calculated Property |
| Cp,gas | 492.52 | J/mol×K | 745.43 | Joback Calculated Property |
| Cp,gas | 505.45 | J/mol×K | 780.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to limonen-10-yl acetate.
Sources
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