- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.45; 662.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.54090e+01 | |||
| Coefficient B | 1.43440e+00 | |||
| Coefficient C | -9.10960e-04 | |||
| Coefficient D | 2.04600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 262.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 337.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 402.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 459.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 509.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 551.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 587.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 617.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 642.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 662.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013493; 0.0002572] | Pa×s | [429.21; 681.33] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10878e+01 | |||
| Coefficient B | 1.92271e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 429.21 | |||
| Temperature range, max. | 681.33 | |||
| η | 0.0013493 | Pa×s | 429.21 | Calculated Property |
| η | 0.0010254 | Pa×s | 457.22 | Calculated Property |
| η | 0.0008044 | Pa×s | 485.24 | Calculated Property |
| η | 0.0006480 | Pa×s | 513.25 | Calculated Property |
| η | 0.0005338 | Pa×s | 541.26 | Calculated Property |
| η | 0.0004482 | Pa×s | 569.27 | Calculated Property |
| η | 0.0003825 | Pa×s | 597.29 | Calculated Property |
| η | 0.0003311 | Pa×s | 625.30 | Calculated Property |
| η | 0.0002902 | Pa×s | 653.31 | Calculated Property |
| η | 0.0002572 | Pa×s | 681.33 | 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
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