- InChI
- InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23/h22H,2-21H2,1H3
- InChI Key
- ZMGJNJFHZNMVCW-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCOC=O
- Molecular Weight1
- 340.58
- CAS
- 77899-03-7
- 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).
- 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 | 1.0625 | Relay (1.0) Calculated Property | |
| ΔfG° | -123.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.591 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 911.08 | kPa | Joback Calculated Property |
| Tboil | 613.11 | K | Relay (1.0) Calculated Property |
| Tc | 798.55 | K | Relay (1.0) Calculated Property |
| Tfus | 320.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.296 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.01; 1146.31] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.21100e+01 | |||
| Coefficient B | 2.14212e+00 | |||
| Coefficient C | -1.28580e-03 | |||
| Coefficient D | 3.02100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 483.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 598.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 700.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 791.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 871.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 942.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1004.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1058.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1105.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1146.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020502; 0.0002059] | Pa×s | [396.40; 653.16] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.20363e+01 | |||
| Coefficient B | 2.31755e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 396.40 | |||
| Temperature range, max. | 653.16 | |||
| η | 0.0020502 | Pa×s | 396.40 | Calculated Property |
| η | 0.0013846 | Pa×s | 424.93 | Calculated Property |
| η | 0.0009824 | Pa×s | 453.46 | Calculated Property |
| η | 0.0007260 | Pa×s | 481.99 | Calculated Property |
| η | 0.0005549 | Pa×s | 510.52 | Calculated Property |
| η | 0.0004364 | Pa×s | 539.04 | Calculated Property |
| η | 0.0003516 | Pa×s | 567.57 | Calculated Property |
| η | 0.0002892 | Pa×s | 596.10 | Calculated Property |
| η | 0.0002421 | Pa×s | 624.63 | Calculated Property |
| η | 0.0002059 | Pa×s | 653.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heneicosyl formate.
Sources
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