- InChI
- InChI=1S/C11H12O2/c12-11(9-5-4-6-9)13-10-7-2-1-3-8-10/h1-3,7-9H,4-6H2
- InChI Key
- QSPUUVAPVKVXFB-UHFFFAOYSA-N
- Formula
- C11H12O2
- SMILES
- O=C(Oc1ccccc1)C1CCC1
- Molecular Weight1
- 176.21
- CAS
- 30466-31-0
- 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 | 0.4985 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.392 | Crippen Calculated Property | |
| McVol | 138.670 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Inp | [1381.00; 1381.00] |
|
|
| Inp | 1381.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Tboil | 527.19 | K | Relay (1.0) Calculated Property |
| Tc | 775.23 | K | Relay (1.0) Calculated Property |
| Tfus | 293.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.53; 413.29] | J/mol×K | [565.06; 798.36] |
|
| Cp,gas | 332.53 | J/mol×K | 565.06 | Joback Calculated Property |
| Cp,gas | 348.66 | J/mol×K | 603.94 | Joback Calculated Property |
| Cp,gas | 363.65 | J/mol×K | 642.83 | Joback Calculated Property |
| Cp,gas | 377.56 | J/mol×K | 681.71 | Joback Calculated Property |
| Cp,gas | 390.43 | J/mol×K | 720.59 | Joback Calculated Property |
| Cp,gas | 402.32 | J/mol×K | 759.48 | Joback Calculated Property |
| Cp,gas | 413.29 | J/mol×K | 798.36 | Joback Calculated Property |
| η | [0.0003529; 0.0022805] | Pa×s | [326.73; 565.06] |
|
| η | 0.0022805 | Pa×s | 326.73 | Joback Calculated Property |
| η | 0.0014118 | Pa×s | 366.45 | Joback Calculated Property |
| η | 0.0009599 | Pa×s | 406.17 | Joback Calculated Property |
| η | 0.0006991 | Pa×s | 445.89 | Joback Calculated Property |
| η | 0.0005363 | Pa×s | 485.62 | Joback Calculated Property |
| η | 0.0004282 | Pa×s | 525.34 | Joback Calculated Property |
| η | 0.0003529 | Pa×s | 565.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, phenyl ester.
Sources
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