- InChI
- InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
- InChI Key
- TWXUTZNBHUWMKJ-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=CCOC(=O)CCC1CCCCC1
- Molecular Weight1
- 196.29
- CAS
- 2705-87-5
- Other Names
-
- Cyclohexanepropionic acid, allyl ester
- Allyl cyclohexanepropionate
- Allyl cyclohexylpropionate
- 3-Allylcyclohexyl propionate
- Allyl hexahydrophenylpropionate
- Cyclohexanol, 3-allyl-, propionate
- Ananolide
- Allyl-3-cyclohexyl propionate
- Propanoic acid, 3-cyclohexyl, 2-propenyl ester
- allyl cyclohexylpropanoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -71.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [1405.00; 1435.00] |
|
|
| Inp | 1407.00 | NIST | |
| Inp | 1406.70 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Inp | 1420.00 | NIST | |
| I | [1778.00; 1826.00] |
|
|
| I | 1826.00 | NIST | |
| I | 1778.00 | NIST | |
| I | 1800.00 | NIST | |
| I | 1800.00 | NIST | |
| Tboil | 566.48 | K | Joback Calculated Property |
| Tc | 769.87 | K | Joback Calculated Property |
| Tfus | 302.78 | K | Joback Calculated Property |
| Vc | 0.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.02; 530.94] | J/mol×K | [566.48; 769.87] |
|
| Cp,gas | 434.02 | J/mol×K | 566.48 | Joback Calculated Property |
| Cp,gas | 452.58 | J/mol×K | 600.38 | Joback Calculated Property |
| Cp,gas | 470.15 | J/mol×K | 634.28 | Joback Calculated Property |
| Cp,gas | 486.75 | J/mol×K | 668.18 | Joback Calculated Property |
| Cp,gas | 502.40 | J/mol×K | 702.08 | Joback Calculated Property |
| Cp,gas | 517.12 | J/mol×K | 735.97 | Joback Calculated Property |
| Cp,gas | 530.94 | J/mol×K | 769.87 | Joback Calculated Property |
| η | [0.0002079; 0.0036730] | Pa×s | [302.78; 566.48] |
|
| η | 0.0036730 | Pa×s | 302.78 | Joback Calculated Property |
| η | 0.0016805 | Pa×s | 346.73 | Joback Calculated Property |
| η | 0.0009168 | Pa×s | 390.68 | Joback Calculated Property |
| η | 0.0005653 | Pa×s | 434.63 | Joback Calculated Property |
| η | 0.0003810 | Pa×s | 478.58 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 522.53 | Joback Calculated Property |
| η | 0.0002079 | Pa×s | 566.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanepropanoic acid, 2-propenyl ester.
Sources
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