- InChI
- InChI=1S/C14H18O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2
- InChI Key
- CINNWVCWEFZMGR-UHFFFAOYSA-N
- Formula
- C14H18O2
- SMILES
- O=C(OCC1CCCCC1)c1ccccc1
- Molecular Weight1
- 218.29
- 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.
- 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° | -30.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.424 | Crippen Calculated Property | |
| McVol | 180.940 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Inp | [1783.00; 1783.00] |
|
|
| Inp | 1783.00 | NIST | |
| Inp | 1783.00 | NIST | |
| Tboil | 642.24 | K | Joback Calculated Property |
| Tc | 877.44 | K | Joback Calculated Property |
| Tfus | 353.50 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.75; 582.73] | J/mol×K | [642.24; 877.44] |
|
| Cp,gas | 485.75 | J/mol×K | 642.24 | Joback Calculated Property |
| Cp,gas | 505.31 | J/mol×K | 681.44 | Joback Calculated Property |
| Cp,gas | 523.44 | J/mol×K | 720.64 | Joback Calculated Property |
| Cp,gas | 540.21 | J/mol×K | 759.84 | Joback Calculated Property |
| Cp,gas | 555.65 | J/mol×K | 799.04 | Joback Calculated Property |
| Cp,gas | 569.80 | J/mol×K | 838.24 | Joback Calculated Property |
| Cp,gas | 582.73 | J/mol×K | 877.44 | Joback Calculated Property |
| η | [0.0001611; 0.0024963] | Pa×s | [353.50; 642.24] |
|
| η | 0.0024963 | Pa×s | 353.50 | Joback Calculated Property |
| η | 0.0012026 | Pa×s | 401.62 | Joback Calculated Property |
| η | 0.0006773 | Pa×s | 449.75 | Joback Calculated Property |
| η | 0.0004263 | Pa×s | 497.87 | Joback Calculated Property |
| η | 0.0002911 | Pa×s | 545.99 | Joback Calculated Property |
| η | 0.0002115 | Pa×s | 594.12 | Joback Calculated Property |
| η | 0.0001611 | Pa×s | 642.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, cyclohexylmethyl ester.
Sources
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