- InChI
- InChI=1S/C22H34O2/c1-3-5-7-8-9-10-11-12-13-19-24-22(23)21-17-15-20(16-18-21)14-6-4-2/h12-13,15-18H,3-11,14,19H2,1-2H3/b13-12+
- InChI Key
- HQPQCTLGQQAYAS-OUKQBFOZSA-N
- Formula
- C22H34O2
- SMILES
-
CCCCCCCCC=CCOC(=O)c1ccc(CCCC)c
c1 - Molecular Weight1
- 330.50
- 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 | 0.9232 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.493 | Crippen Calculated Property | |
| McVol | 300.220 | ml/mol | McGowan Calculated Property |
| Pc | 1176.05 | kPa | Joback Calculated Property |
| Inp | [2504.50; 2504.50] |
|
|
| Inp | 2504.50 | NIST | |
| Inp | 2504.50 | NIST | |
| Tboil | 638.14 | K | Relay (1.0) Calculated Property |
| Tc | 837.40 | K | Relay (1.0) Calculated Property |
| Tfus | 260.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.106 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [919.79; 1014.17] | J/mol×K | [814.87; 1011.12] |
|
| Cp,gas | 919.79 | J/mol×K | 814.87 | Joback Calculated Property |
| Cp,gas | 938.00 | J/mol×K | 847.58 | Joback Calculated Property |
| Cp,gas | 955.15 | J/mol×K | 880.29 | Joback Calculated Property |
| Cp,gas | 971.29 | J/mol×K | 913.00 | Joback Calculated Property |
| Cp,gas | 986.48 | J/mol×K | 945.70 | Joback Calculated Property |
| Cp,gas | 1000.75 | J/mol×K | 978.41 | Joback Calculated Property |
| Cp,gas | 1014.17 | J/mol×K | 1011.12 | Joback Calculated Property |
| η | [0.0000498; 0.0008023] | Pa×s | [443.72; 814.87] |
|
| η | 0.0008023 | Pa×s | 443.72 | Joback Calculated Property |
| η | 0.0003802 | Pa×s | 505.58 | Joback Calculated Property |
| η | 0.0002120 | Pa×s | 567.44 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 629.30 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 691.15 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 753.01 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 814.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, undec-2-enyl ester.
Sources
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