- InChI
- InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3
- InChI Key
- BKATZVAUANSCKN-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CC(=O)OCC1=CCC2CC1C2(C)C
- Molecular Weight1
- 194.27
- CAS
- 1079-01-2
- Other Names
-
- 2-Pinen-10-ol, acetate
- Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)-
- (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate
- (+)-Myrtenyl acetate
- myrtenalacetate
- (1S)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 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° | -67.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.542 | Crippen Calculated Property | |
| McVol | 161.360 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [1284.00; 1336.90] |
|
|
| Inp | 1284.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1299.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1326.80 | NIST | |
| Inp | 1336.90 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1324.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1324.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1299.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1324.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1305.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1316.00 | NIST | |
| Inp | 1316.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1316.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1307.00 | NIST | |
| I | [1677.00; 1720.00] |
|
|
| I | 1720.00 | NIST | |
| I | 1683.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1701.00 | NIST | |
| I | 1707.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1720.00 | NIST | |
| Tboil | 567.71 | K | Joback Calculated Property |
| Tc | 778.17 | K | Joback Calculated Property |
| Tfus | 362.46 | K | Joback Calculated Property |
| Vc | 0.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.70; 507.64] | J/mol×K | [567.71; 778.17] |
|
| Cp,gas | 418.70 | J/mol×K | 567.71 | Joback Calculated Property |
| Cp,gas | 435.64 | J/mol×K | 602.79 | Joback Calculated Property |
| Cp,gas | 451.57 | J/mol×K | 637.86 | Joback Calculated Property |
| Cp,gas | 466.60 | J/mol×K | 672.94 | Joback Calculated Property |
| Cp,gas | 480.88 | J/mol×K | 708.02 | Joback Calculated Property |
| Cp,gas | 494.51 | J/mol×K | 743.09 | Joback Calculated Property |
| Cp,gas | 507.64 | J/mol×K | 778.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myrtenyl acetate.
Sources
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