- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.26; 1049.16] | J/mol×K | [737.60; 907.19] | 
|
| Cp,gas | 945.26 | J/mol×K | 737.60 | Joback Calculated Property |
| Cp,gas | 964.70 | J/mol×K | 765.86 | Joback Calculated Property |
| Cp,gas | 983.24 | J/mol×K | 794.13 | Joback Calculated Property |
| Cp,gas | 1000.92 | J/mol×K | 822.39 | Joback Calculated Property |
| Cp,gas | 1017.77 | J/mol×K | 850.66 | Joback Calculated Property |
| Cp,gas | 1033.84 | J/mol×K | 878.92 | Joback Calculated Property |
| Cp,gas | 1049.16 | J/mol×K | 907.19 | Joback Calculated Property |
| η | [0.0001412; 0.0022288] | Pa×s | [385.13; 737.60] |
|
| η | 0.0022288 | Pa×s | 385.13 | Joback Calculated Property |
| η | 0.0010381 | Pa×s | 443.88 | Joback Calculated Property |
| η | 0.0005781 | Pa×s | 502.62 | Joback Calculated Property |
| η | 0.0003639 | Pa×s | 561.37 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 620.11 | Joback Calculated Property |
| η | 0.0001833 | Pa×s | 678.85 | Joback Calculated Property |
| η | 0.0001412 | Pa×s | 737.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eicosanyl formate.
Sources
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