- InChI
- InChI=1S/C20H30O2/c1-3-5-6-7-8-9-10-11-12-17-22-20(21)19-15-13-18(4-2)14-16-19/h11-16H,3-10,17H2,1-2H3/b12-11+
- InChI Key
- NZVPQTGCKTYURJ-VAWYXSNFSA-N
- Formula
- C20H30O2
- SMILES
- CCCCCCCCC=CCOC(=O)c1ccc(CC)cc1
- Molecular Weight1
- 302.45
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8440 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.713 | Crippen Calculated Property | |
| McVol | 272.040 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | [2324.30; 2324.30] |
|
|
| Inp | 2324.30 | NIST | |
| Inp | 2324.30 | NIST | |
| Tboil | 617.02 | K | Relay (1.0) Calculated Property |
| Tc | 820.50 | K | Relay (1.0) Calculated Property |
| Tfus | 259.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.997 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.66; 893.60] | J/mol×K | [769.11; 965.51] |
|
| Cp,gas | 801.66 | J/mol×K | 769.11 | Joback Calculated Property |
| Cp,gas | 819.38 | J/mol×K | 801.84 | Joback Calculated Property |
| Cp,gas | 836.08 | J/mol×K | 834.58 | Joback Calculated Property |
| Cp,gas | 851.81 | J/mol×K | 867.31 | Joback Calculated Property |
| Cp,gas | 866.61 | J/mol×K | 900.04 | Joback Calculated Property |
| Cp,gas | 880.53 | J/mol×K | 932.78 | Joback Calculated Property |
| Cp,gas | 893.60 | J/mol×K | 965.51 | Joback Calculated Property |
| η | [0.0000647; 0.0009691] | Pa×s | [421.18; 769.11] |
|
| η | 0.0009691 | Pa×s | 421.18 | Joback Calculated Property |
| η | 0.0004698 | Pa×s | 479.17 | Joback Calculated Property |
| η | 0.0002662 | Pa×s | 537.16 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 595.14 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 653.13 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 711.12 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 769.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, undec-2-enyl ester.
Sources
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