- InChI
- InChI=1S/C18H18O3/c19-18(15-7-4-8-15)21-17-11-9-16(10-12-17)20-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,15H,4,7-8,13H2
- InChI Key
- MLTQEXIFKGNXBF-UHFFFAOYSA-N
- Formula
- C18H18O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)C1CC
C1 - Molecular Weight1
- 282.33
- 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° | 25.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 3.971 | Crippen Calculated Property | |
| McVol | 219.410 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | [2335.00; 2335.00] |
|
|
| Inp | 2335.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Tboil | 779.30 | K | Joback Calculated Property |
| Tc | 1022.07 | K | Joback Calculated Property |
| Tfus | 466.79 | K | Joback Calculated Property |
| Vc | 0.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.37; 720.88] | J/mol×K | [779.30; 1022.07] |
|
| Cp,gas | 640.37 | J/mol×K | 779.30 | Joback Calculated Property |
| Cp,gas | 657.17 | J/mol×K | 819.76 | Joback Calculated Property |
| Cp,gas | 672.51 | J/mol×K | 860.22 | Joback Calculated Property |
| Cp,gas | 686.49 | J/mol×K | 900.69 | Joback Calculated Property |
| Cp,gas | 699.16 | J/mol×K | 941.15 | Joback Calculated Property |
| Cp,gas | 710.60 | J/mol×K | 981.61 | Joback Calculated Property |
| Cp,gas | 720.88 | J/mol×K | 1022.07 | Joback Calculated Property |
| η | [0.0001552; 0.0010354] | Pa×s | [466.79; 779.30] |
|
| η | 0.0010354 | Pa×s | 466.79 | Joback Calculated Property |
| η | 0.0006439 | Pa×s | 518.88 | Joback Calculated Property |
| η | 0.0004367 | Pa×s | 570.96 | Joback Calculated Property |
| η | 0.0003160 | Pa×s | 623.04 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 675.13 | Joback Calculated Property |
| η | 0.0001902 | Pa×s | 727.21 | Joback Calculated Property |
| η | 0.0001552 | Pa×s | 779.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, 4-benzyloxyphenyl ester.
Sources
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