- InChI
- InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3
- InChI Key
- PSGPXWYGJGGEEG-UHFFFAOYSA-N
- Formula
- C18H18O3
- SMILES
-
CCCCOC(=O)C1(O)c2ccccc2-c2cccc
c21 - Molecular Weight1
- 282.33
- CAS
- 2314-09-2
- Other Names
-
- 9H-Fluorene-9-carboxylic acid, 9-hydroxy-, butyl ester
- Fluorene-9-carboxylic acid, 9-hydroxy-, butyl ester
- Butyl morphactin
- Butyl 9-hydroxy-9-fluorenecarboxylate
- Butyl 9-hydroxyfluorene-9-carboxylate
- Butyl 9-hydroxyfluorenyl-9-carboxylate
- Butyl ester of 9-hydroxyfluorene-9-carboxylic acid
- EMD 7311 W
- Flurecol-Butyl
- Flurenol ester
- IT 3233
- Morphactin IT 3233
- TH 407-H
- Flurenol-n-butyl ester
- 9-Hydroxyfluorene-9-Carboxylic acid butyl ester
- 9-Hydroxyfluorene-9-carboxylic acid n-butyl ester
- Flurenol-butyl
- Butyl flurenol
- butyl 9-hydroxy-9H-fluorene-9-carboxylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | 14.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 3.246 | Crippen Calculated Property | |
| McVol | 219.410 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Tboil | 841.47 | K | Joback Calculated Property |
| Tc | 1061.75 | K | Joback Calculated Property |
| Tfus | 344.68 ± 0.20 | K | NIST |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [652.96; 740.33] | J/mol×K | [841.47; 1061.75] | 
|
| Cp,gas | 652.96 | J/mol×K | 841.47 | Joback Calculated Property |
| Cp,gas | 667.12 | J/mol×K | 878.18 | Joback Calculated Property |
| Cp,gas | 681.20 | J/mol×K | 914.90 | Joback Calculated Property |
| Cp,gas | 695.38 | J/mol×K | 951.61 | Joback Calculated Property |
| Cp,gas | 709.85 | J/mol×K | 988.32 | Joback Calculated Property |
| Cp,gas | 724.77 | J/mol×K | 1025.04 | Joback Calculated Property |
| Cp,gas | 740.33 | J/mol×K | 1061.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Flurenol butyl ester.
Sources
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