- InChI
- InChI=1S/C22H44O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(5-2)6-3/h21H,4-20H2,1-3H3
- InChI Key
- AUQZCCMRNBDOEN-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)C(CC)CC
- Molecular Weight1
- 340.58
- 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 | 0.9923 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -816.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.447 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 931.78 | kPa | Joback Calculated Property |
| Inp | [2297.00; 2314.00] |
|
|
| Inp | 2297.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2297.00 | NIST | |
| Tboil | 592.80 | K | Relay (1.0) Calculated Property |
| Tc | 791.84 | K | Relay (1.0) Calculated Property |
| Tfus | 277.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.259 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.45; 1140.50] | J/mol×K | [778.61; 955.90] |
|
| Cp,gas | 1031.45 | J/mol×K | 778.61 | Joback Calculated Property |
| Cp,gas | 1052.12 | J/mol×K | 808.16 | Joback Calculated Property |
| Cp,gas | 1071.76 | J/mol×K | 837.71 | Joback Calculated Property |
| Cp,gas | 1090.39 | J/mol×K | 867.25 | Joback Calculated Property |
| Cp,gas | 1108.04 | J/mol×K | 896.80 | Joback Calculated Property |
| Cp,gas | 1124.73 | J/mol×K | 926.35 | Joback Calculated Property |
| Cp,gas | 1140.50 | J/mol×K | 955.90 | Joback Calculated Property |
| η | [0.0000512; 0.0016625] | Pa×s | [394.86; 778.61] |
|
| η | 0.0016625 | Pa×s | 394.86 | Joback Calculated Property |
| η | 0.0006213 | Pa×s | 458.82 | Joback Calculated Property |
| η | 0.0002954 | Pa×s | 522.78 | Joback Calculated Property |
| η | 0.0001652 | Pa×s | 586.74 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 650.69 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 714.65 | Joback Calculated Property |
| η | 0.0000512 | Pa×s | 778.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, hexadecyl ester.
Sources
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