- InChI
- InChI=1S/C21H18O2/c22-21(20-13-19(20)17-7-2-1-3-8-17)23-14-15-10-11-16-6-4-5-9-18(16)12-15/h1-12,19-20H,13-14H2
- InChI Key
- RANFTECVFQGXMF-UHFFFAOYSA-N
- Formula
- C21H18O2
- SMILES
-
O=C(OCc1ccc2ccccc2c1)C1CC1c1cc
ccc1 - Molecular Weight1
- 302.37
- 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° | 266.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 4.687 | Crippen Calculated Property | |
| McVol | 236.350 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | [2787.00; 2787.00] |
|
|
| Inp | 2787.00 | NIST | |
| Inp | 2787.00 | NIST | |
| Tboil | 835.56 | K | Joback Calculated Property |
| Tc | 1086.65 | K | Joback Calculated Property |
| Tfus | 510.35 | K | Joback Calculated Property |
| Vc | 0.897 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.94; 790.21] | J/mol×K | [835.56; 1086.65] |
|
| Cp,gas | 708.94 | J/mol×K | 835.56 | Joback Calculated Property |
| Cp,gas | 725.08 | J/mol×K | 877.41 | Joback Calculated Property |
| Cp,gas | 739.98 | J/mol×K | 919.26 | Joback Calculated Property |
| Cp,gas | 753.79 | J/mol×K | 961.10 | Joback Calculated Property |
| Cp,gas | 766.66 | J/mol×K | 1002.95 | Joback Calculated Property |
| Cp,gas | 778.75 | J/mol×K | 1044.80 | Joback Calculated Property |
| Cp,gas | 790.21 | J/mol×K | 1086.65 | Joback Calculated Property |
| η | [0.0005158; 0.0017616] | Pa×s | [510.35; 835.56] |
|
| η | 0.0017616 | Pa×s | 510.35 | Joback Calculated Property |
| η | 0.0013011 | Pa×s | 564.55 | Joback Calculated Property |
| η | 0.0010134 | Pa×s | 618.75 | Joback Calculated Property |
| η | 0.0008218 | Pa×s | 672.95 | Joback Calculated Property |
| η | 0.0006875 | Pa×s | 727.16 | Joback Calculated Property |
| η | 0.0005896 | Pa×s | 781.36 | Joback Calculated Property |
| η | 0.0005158 | Pa×s | 835.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, naphth-2-ylmethyl ester.
Sources
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