- InChI
- InChI=1S/C14H18O2/c1-2-11-7-9-12(10-8-11)14(15)16-13-5-3-4-6-13/h7-10,13H,2-6H2,1H3
- InChI Key
- HBTFJMMUGOMQHA-UHFFFAOYSA-N
- Formula
- C14H18O2
- SMILES
- CCc1ccc(C(=O)OC2CCCC2)cc1
- Molecular Weight1
- 218.29
- Other Names
-
- Cyclopentyl 4-ethylbenzoate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.6083 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.348 | Crippen Calculated Property | |
| McVol | 180.940 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| I | [1835.00; 1835.00] |
|
|
| I | 1835.00 | NIST | |
| I | 1835.00 | NIST | |
| Tboil | 576.60 | K | Relay (1.0) Calculated Property |
| Tc | 795.94 | K | Relay (1.0) Calculated Property |
| Tfus | 252.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.33; 575.77] | J/mol×K | [642.95; 871.46] |
|
| Cp,gas | 483.33 | J/mol×K | 642.95 | Joback Calculated Property |
| Cp,gas | 501.71 | J/mol×K | 681.03 | Joback Calculated Property |
| Cp,gas | 518.85 | J/mol×K | 719.12 | Joback Calculated Property |
| Cp,gas | 534.78 | J/mol×K | 757.20 | Joback Calculated Property |
| Cp,gas | 549.55 | J/mol×K | 795.29 | Joback Calculated Property |
| Cp,gas | 563.19 | J/mol×K | 833.37 | Joback Calculated Property |
| Cp,gas | 575.77 | J/mol×K | 871.46 | Joback Calculated Property |
| η | [0.0002127; 0.0018722] | Pa×s | [369.54; 642.95] |
|
| η | 0.0018722 | Pa×s | 369.54 | Joback Calculated Property |
| η | 0.0010679 | Pa×s | 415.11 | Joback Calculated Property |
| η | 0.0006807 | Pa×s | 460.68 | Joback Calculated Property |
| η | 0.0004705 | Pa×s | 506.25 | Joback Calculated Property |
| η | 0.0003457 | Pa×s | 551.81 | Joback Calculated Property |
| η | 0.0002662 | Pa×s | 597.38 | Joback Calculated Property |
| η | 0.0002127 | Pa×s | 642.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, cyclopentyl ester.
Sources
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