- InChI
- InChI=1S/C16H14O2/c17-16(14-6-7-14)18-15-10-8-13(9-11-15)12-4-2-1-3-5-12/h1-5,8-11,14H,6-7H2
- InChI Key
- UNMBXFPVBYYKPX-UHFFFAOYSA-N
- Formula
- C16H14O2
- SMILES
- O=C(Oc1ccc(-c2ccccc2)cc1)C1CC1
- Molecular Weight1
- 238.28
- 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° | 125.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.669 | Crippen Calculated Property | |
| McVol | 185.360 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | [2148.00; 2148.00] |
|
|
| Inp | 2148.00 | NIST | |
| Inp | 2148.00 | NIST | |
| Tboil | 706.85 | K | Joback Calculated Property |
| Tc | 956.40 | K | Joback Calculated Property |
| Tfus | 425.54 | K | Joback Calculated Property |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.29; 581.78] | J/mol×K | [706.85; 956.40] |
|
| Cp,gas | 502.29 | J/mol×K | 706.85 | Joback Calculated Property |
| Cp,gas | 518.58 | J/mol×K | 748.44 | Joback Calculated Property |
| Cp,gas | 533.51 | J/mol×K | 790.03 | Joback Calculated Property |
| Cp,gas | 547.20 | J/mol×K | 831.62 | Joback Calculated Property |
| Cp,gas | 559.74 | J/mol×K | 873.21 | Joback Calculated Property |
| Cp,gas | 571.23 | J/mol×K | 914.80 | Joback Calculated Property |
| Cp,gas | 581.78 | J/mol×K | 956.40 | Joback Calculated Property |
| η | [0.0003329; 0.0016095] | Pa×s | [425.54; 706.85] |
|
| η | 0.0016095 | Pa×s | 425.54 | Joback Calculated Property |
| η | 0.0010865 | Pa×s | 472.43 | Joback Calculated Property |
| η | 0.0007874 | Pa×s | 519.31 | Joback Calculated Property |
| η | 0.0006019 | Pa×s | 566.20 | Joback Calculated Property |
| η | 0.0004794 | Pa×s | 613.08 | Joback Calculated Property |
| η | 0.0003943 | Pa×s | 659.97 | Joback Calculated Property |
| η | 0.0003329 | Pa×s | 706.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 4-biphenyl ester.
Sources
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