- InChI
- InChI=1S/C14H18O3/c1-10(2)16-12-8-3-4-9-13(12)17-14(15)11-6-5-7-11/h3-4,8-11H,5-7H2,1-2H3
- InChI Key
- LGYNTCSGORWHHN-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- CC(C)Oc1ccccc1OC(=O)C1CCC1
- Molecular Weight1
- 234.29
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.6252 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.179 | Crippen Calculated Property | |
| McVol | 186.810 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Inp | 1656.00 | NIST | |
| Tboil | 565.16 | K | Relay (1.0) Calculated Property |
| Tc | 800.12 | K | Relay (1.0) Calculated Property |
| Tfus | 315.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.95; 596.75] | J/mol×K | [660.66; 883.48] | 
|
| Cp,gas | 508.95 | J/mol×K | 660.66 | Joback Calculated Property |
| Cp,gas | 526.34 | J/mol×K | 697.80 | Joback Calculated Property |
| Cp,gas | 542.59 | J/mol×K | 734.93 | Joback Calculated Property |
| Cp,gas | 557.72 | J/mol×K | 772.07 | Joback Calculated Property |
| Cp,gas | 571.76 | J/mol×K | 809.20 | Joback Calculated Property |
| Cp,gas | 584.76 | J/mol×K | 846.34 | Joback Calculated Property |
| Cp,gas | 596.75 | J/mol×K | 883.48 | Joback Calculated Property |
| η | [0.0002106; 0.0016351] | Pa×s | [380.29; 660.66] |
|
| η | 0.0016351 | Pa×s | 380.29 | Joback Calculated Property |
| η | 0.0009639 | Pa×s | 427.02 | Joback Calculated Property |
| η | 0.0006307 | Pa×s | 473.75 | Joback Calculated Property |
| η | 0.0004453 | Pa×s | 520.48 | Joback Calculated Property |
| η | 0.0003330 | Pa×s | 567.20 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 613.93 | Joback Calculated Property |
| η | 0.0002106 | Pa×s | 660.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, 2-isopropoxyohenyl ester.
Sources
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