- InChI
- InChI=1S/C22H46O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24/h23-24H,1-22H2
- InChI Key
- HIBKFQRBONXURO-UHFFFAOYSA-N
- Formula
- C22H46O2
- SMILES
- OCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Weight1
- 342.60
- CAS
- 22513-81-1
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 1.3563 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 170.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.773 | Crippen Calculated Property | |
| McVol | 332.580 | ml/mol | McGowan Calculated Property |
| Pc | 1010.37 | kPa | Joback Calculated Property |
| Tboil | 641.90 | K | Relay (1.0) Calculated Property |
| Tc | 852.14 | K | Relay (1.0) Calculated Property |
| Tfus | 370.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.312 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1129.03; 1236.14] | J/mol×K | [887.32; 1095.24] | 
|
| Cp,gas | 1129.03 | J/mol×K | 887.32 | Joback Calculated Property |
| Cp,gas | 1149.58 | J/mol×K | 921.97 | Joback Calculated Property |
| Cp,gas | 1168.96 | J/mol×K | 956.63 | Joback Calculated Property |
| Cp,gas | 1187.24 | J/mol×K | 991.28 | Joback Calculated Property |
| Cp,gas | 1204.48 | J/mol×K | 1025.93 | Joback Calculated Property |
| Cp,gas | 1220.76 | J/mol×K | 1060.58 | Joback Calculated Property |
| Cp,gas | 1236.14 | J/mol×K | 1095.24 | Joback Calculated Property |
| η | [0.0000017; 0.0007582] | Pa×s | [459.34; 887.32] |
|
| η | 0.0007582 | Pa×s | 459.34 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 530.67 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 602.00 | Joback Calculated Property |
| η | 0.0000135 | Pa×s | 673.33 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 744.66 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 815.99 | Joback Calculated Property |
| η | 0.0000017 | Pa×s | 887.32 | Joback Calculated Property |
| ΔfusH | 46.50 | kJ/mol | 379.40 | NIST |
Similar Compounds
Find more compounds similar to 1,22-Docosanediol.
Sources
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