- InChI
- InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
- InChI Key
- HLHIVJRLODSUCI-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=C(C)C1CCC(C)CC1OC(C)=O
- Molecular Weight1
- 196.29
- CAS
- 89-49-6
- Other Names
-
- 2-Isopropenyl-5-methylcyclohexyl acetate
- Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate
- 1-Methyl-4-isopropenylcyclohexan-3-yl acetate
- Isopulegyl acetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4167 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.930 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2187.68 | kPa | Joback Calculated Property |
| Inp | [1226.00; 1298.00] |
|
|
| Inp | Outlier 1226.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | Outlier 1298.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1258.00 | NIST | |
| I | [1576.00; 1608.00] |
|
|
| I | 1608.00 | NIST | |
| I | 1581.00 | NIST | |
| I | 1576.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1608.00 | NIST | |
| I | 1585.00 | NIST | |
| Tboil | 504.89 | K | Relay (1.0) Calculated Property |
| Tc | 693.26 | K | Relay (1.0) Calculated Property |
| Tfus | 234.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.53; 539.15] | J/mol×K | [557.02; 763.76] |
|
| Cp,gas | 435.53 | J/mol×K | 557.02 | Joback Calculated Property |
| Cp,gas | 455.28 | J/mol×K | 591.48 | Joback Calculated Property |
| Cp,gas | 474.03 | J/mol×K | 625.93 | Joback Calculated Property |
| Cp,gas | 491.78 | J/mol×K | 660.39 | Joback Calculated Property |
| Cp,gas | 508.54 | J/mol×K | 694.85 | Joback Calculated Property |
| Cp,gas | 524.33 | J/mol×K | 729.31 | Joback Calculated Property |
| Cp,gas | 539.15 | J/mol×K | 763.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Menth-8-en-3-ol, acetate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.