- 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 |
|---|---|---|---|---|
| ΔfusH | 46.50 | kJ/mol | 379.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.19; 1191.67] | 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 | -6.52800e+00 | |||
| Coefficient B | 2.16180e+00 | |||
| Coefficient C | -1.23380e-03 | |||
| Coefficient D | 2.70200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 497.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 615.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 722.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 816.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 900.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 975.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1040.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1097.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1147.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1191.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007582; 0.0000047] | Pa×s | [459.34; 766.66] |
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 | -1.98574e+01 | |||
| Coefficient B | 5.82114e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 459.34 | |||
| Temperature range, max. | 766.66 | |||
| η | 0.0007582 | Pa×s | 459.34 | Calculated Property |
| η | 0.0003155 | Pa×s | 493.49 | Calculated Property |
| η | 0.0001470 | Pa×s | 527.63 | Calculated Property |
| η | 0.0000752 | Pa×s | 561.78 | Calculated Property |
| η | 0.0000415 | Pa×s | 595.93 | Calculated Property |
| η | 0.0000245 | Pa×s | 630.08 | Calculated Property |
| η | 0.0000152 | Pa×s | 664.22 | Calculated Property |
| η | 0.0000099 | Pa×s | 698.37 | Calculated Property |
| η | 0.0000067 | Pa×s | 732.52 | Calculated Property |
| η | 0.0000047 | Pa×s | 766.66 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,22-Docosanediol.
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