- InChI
- InChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h21H,2-20H2,1H3
- InChI Key
- FJZCFGKQFDPNHS-UHFFFAOYSA-N
- Formula
- C21H42O
- SMILES
- CCCCCCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 310.56
- CAS
- 51227-32-8
- 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 | 0.9707 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.617 | Crippen Calculated Property | |
| McVol | 308.320 | ml/mol | McGowan Calculated Property |
| Pc | 1001.44 | kPa | Joback Calculated Property |
| Inp | [2307.00; 2333.00] |
|
|
| Inp | 2332.00 | NIST | |
| Inp | 2329.40 | NIST | |
| Inp | 2332.00 | NIST | |
| Inp | 2307.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Tboil | 605.67 | K | Relay (1.0) Calculated Property |
| Tc | 795.17 | K | Relay (1.0) Calculated Property |
| Tfus | 335.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.222 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [934.33; 1041.92] | J/mol×K | [728.54; 897.54] |
|
| Cp,gas | 934.33 | J/mol×K | 728.54 | Joback Calculated Property |
| Cp,gas | 954.43 | J/mol×K | 756.71 | Joback Calculated Property |
| Cp,gas | 973.63 | J/mol×K | 784.87 | Joback Calculated Property |
| Cp,gas | 991.94 | J/mol×K | 813.04 | Joback Calculated Property |
| Cp,gas | 1009.41 | J/mol×K | 841.21 | Joback Calculated Property |
| Cp,gas | 1026.06 | J/mol×K | 869.37 | Joback Calculated Property |
| Cp,gas | 1041.92 | J/mol×K | 897.54 | Joback Calculated Property |
| η | [0.0000940; 0.0026211] | Pa×s | [368.43; 728.54] |
|
| η | 0.0026211 | Pa×s | 368.43 | Joback Calculated Property |
| η | 0.0010207 | Pa×s | 428.45 | Joback Calculated Property |
| η | 0.0005011 | Pa×s | 488.47 | Joback Calculated Property |
| η | 0.0002875 | Pa×s | 548.49 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 608.50 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 668.52 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 728.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosanal.
Sources
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