- InChI
- InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22/h21H,2-20H2,1H3
- InChI Key
- XPSVNIWOCPFNFQ-UHFFFAOYSA-N
- Formula
- C21H42O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCOC=O
- Molecular Weight1
- 326.56
- 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 | 1.0274 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.201 | Crippen Calculated Property | |
| McVol | 314.190 | ml/mol | McGowan Calculated Property |
| Pc | 966.27 | kPa | Joback Calculated Property |
| Inp | 2323.00 | NIST | |
| Tboil | 606.64 | K | Relay (1.0) Calculated Property |
| Tc | 791.29 | K | Relay (1.0) Calculated Property |
| Tfus | 317.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.240 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.79; 1094.72] | 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 | -1.12010e+01 | |||
| Coefficient B | 2.04712e+00 | |||
| Coefficient C | -1.23140e-03 | |||
| Coefficient D | 2.90200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 461.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 571.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 669.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 756.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 833.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 900.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 959.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1010.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1055.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1094.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022288; 0.0002298] | Pa×s | [385.13; 635.03] |
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 | -1.18794e+01 | |||
| Coefficient B | 2.22339e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 385.13 | |||
| Temperature range, max. | 635.03 | |||
| η | 0.0022288 | Pa×s | 385.13 | Calculated Property |
| η | 0.0015117 | Pa×s | 412.90 | Calculated Property |
| η | 0.0010767 | Pa×s | 440.66 | Calculated Property |
| η | 0.0007984 | Pa×s | 468.43 | Calculated Property |
| η | 0.0006122 | Pa×s | 496.20 | Calculated Property |
| η | 0.0004828 | Pa×s | 523.96 | Calculated Property |
| η | 0.0003899 | Pa×s | 551.73 | Calculated Property |
| η | 0.0003215 | Pa×s | 579.50 | Calculated Property |
| η | 0.0002697 | Pa×s | 607.27 | Calculated Property |
| η | 0.0002298 | Pa×s | 635.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosanyl formate.
Sources
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