- InChI
- InChI=1S/C17H16O3/c18-17(14-6-7-14)20-16-10-8-15(9-11-16)19-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2
- InChI Key
- HGGWJLDXGZHPDB-UHFFFAOYSA-N
- Formula
- C17H16O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)C1CC
1 - Molecular Weight1
- 268.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 31.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 205.320 | ml/mol | McGowan Calculated Property |
| Inp | [2227.00; 2227.00] |
|
|
| Inp | 2227.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Tboil | 639.35 | K | Relay (1.0) Calculated Property |
| Tfus | 341.86 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.68; 656.38] | J/mol×K | [734.28; 973.32] |
|
| Cp,gas | 577.68 | J/mol×K | 734.28 | Joback Calculated Property |
| Cp,gas | 594.00 | J/mol×K | 774.12 | Joback Calculated Property |
| Cp,gas | 608.93 | J/mol×K | 813.96 | Joback Calculated Property |
| Cp,gas | 622.56 | J/mol×K | 853.80 | Joback Calculated Property |
| Cp,gas | 634.96 | J/mol×K | 893.64 | Joback Calculated Property |
| Cp,gas | 646.20 | J/mol×K | 933.48 | Joback Calculated Property |
| Cp,gas | 656.38 | J/mol×K | 973.32 | Joback Calculated Property |
| η | [0.0002098; 0.0013493] | Pa×s | [429.21; 734.28] |
|
| η | 0.0013493 | Pa×s | 429.21 | Joback Calculated Property |
| η | 0.0008395 | Pa×s | 480.06 | Joback Calculated Property |
| η | 0.0005721 | Pa×s | 530.90 | Joback Calculated Property |
| η | 0.0004169 | Pa×s | 581.75 | Joback Calculated Property |
| η | 0.0003196 | Pa×s | 632.59 | Joback Calculated Property |
| η | 0.0002549 | Pa×s | 683.43 | Joback Calculated Property |
| η | 0.0002098 | Pa×s | 734.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 4-benzyloxyphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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