- InChI
- InChI=1S/C23H48O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h23H,4-22H2,1-3H3
- InChI Key
- UBZGFZFEZYNVAW-UHFFFAOYSA-N
- Formula
- C23H48O
- SMILES
- CCCCCCCCCCCCCCCCCCCCOC(C)C
- Molecular Weight1
- 340.63
- 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 | 0.9859 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.453 | Crippen Calculated Property | |
| McVol | 340.800 | ml/mol | McGowan Calculated Property |
| Pc | 847.51 | kPa | Joback Calculated Property |
| Inp | [2326.00; 2326.00] |
|
|
| Inp | 2326.00 | NIST | |
| Inp | 2326.00 | NIST | |
| Tboil | 599.92 | K | Relay (1.0) Calculated Property |
| Tc | 773.78 | K | Relay (1.0) Calculated Property |
| Tfus | 297.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.354 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.49; 1224.96] | 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 | 5.79900e+00 | |||
| Coefficient B | 2.13156e+00 | |||
| Coefficient C | -1.11960e-03 | |||
| Coefficient D | 2.07200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 508.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 628.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 835.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 922.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 999.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1068.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1128.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1180.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1224.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022255; 0.0000822] | Pa×s | [356.20; 642.68] |
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 | -1.35082e+01 | |||
| Coefficient B | 2.63603e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 356.20 | |||
| Temperature range, max. | 642.68 | |||
| η | 0.0022255 | Pa×s | 356.20 | Calculated Property |
| η | 0.0012128 | Pa×s | 388.03 | Calculated Property |
| η | 0.0007246 | Pa×s | 419.86 | Calculated Property |
| η | 0.0004655 | Pa×s | 451.69 | Calculated Property |
| η | 0.0003170 | Pa×s | 483.53 | Calculated Property |
| η | 0.0002264 | Pa×s | 515.36 | Calculated Property |
| η | 0.0001681 | Pa×s | 547.19 | Calculated Property |
| η | 0.0001290 | Pa×s | 579.02 | Calculated Property |
| η | 0.0001018 | Pa×s | 610.85 | Calculated Property |
| η | 0.0000822 | Pa×s | 642.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosyl isopropyl ether.
Sources
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