- InChI
- InChI=1S/C21H34O2/c1-3-5-7-8-9-10-11-12-18-23-21(22)20-16-14-19(15-17-20)13-6-4-2/h14-17H,3-13,18H2,1-2H3
- InChI Key
- CLFVRPLNUBPRAQ-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
- CCCCCCCCCCOC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 318.49
- 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 | 0.9722 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.327 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1178.47 | kPa | Joback Calculated Property |
| Inp | 2411.10 | NIST | |
| Tboil | 634.23 | K | Relay (1.0) Calculated Property |
| Tc | 829.55 | K | Relay (1.0) Calculated Property |
| Tfus | 270.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.108 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.22; 973.11] | J/mol×K | [769.96; 958.99] | 
|
| Cp,gas | 877.22 | J/mol×K | 769.96 | Joback Calculated Property |
| Cp,gas | 895.82 | J/mol×K | 801.47 | Joback Calculated Property |
| Cp,gas | 913.32 | J/mol×K | 832.97 | Joback Calculated Property |
| Cp,gas | 929.77 | J/mol×K | 864.48 | Joback Calculated Property |
| Cp,gas | 945.20 | J/mol×K | 895.98 | Joback Calculated Property |
| Cp,gas | 959.63 | J/mol×K | 927.49 | Joback Calculated Property |
| Cp,gas | 973.11 | J/mol×K | 958.99 | Joback Calculated Property |
| η | [0.0000577; 0.0012423] | Pa×s | [407.70; 769.96] |
|
| η | 0.0012423 | Pa×s | 407.70 | Joback Calculated Property |
| η | 0.0005355 | Pa×s | 468.08 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 528.45 | Joback Calculated Property |
| η | 0.0001670 | Pa×s | 588.83 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 649.21 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 709.58 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 769.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, decyl ester.
Sources
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