- InChI
- InChI=1S/C25H52O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-25(2)3/h25H,4-24H2,1-3H3
- InChI Key
- CPBGIQAHVDNSMJ-UHFFFAOYSA-N
- Formula
- C25H52O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOC(C)C
- Molecular Weight1
- 368.68
- 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 | 1.0560 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.233 | Crippen Calculated Property | |
| McVol | 368.980 | ml/mol | McGowan Calculated Property |
| Pc | 760.16 | kPa | Joback Calculated Property |
| Inp | 2524.00 | NIST | |
| Tboil | 612.58 | K | Relay (1.0) Calculated Property |
| Tc | 788.03 | K | Relay (1.0) Calculated Property |
| Tfus | 303.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.465 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.92; 1328.14] | 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 | 3.98100e+00 | |||
| Coefficient B | 2.32156e+00 | |||
| Coefficient C | -1.22840e-03 | |||
| Coefficient D | 2.31000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 550.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 681.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 799.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 905.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1000.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1084.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1158.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1223.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1279.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1328.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017125; 0.0000629] | Pa×s | [378.74; 680.18] |
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 | -1.38270e+01 | |||
| Coefficient B | 2.82435e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 378.74 | |||
| Temperature range, max. | 680.18 | |||
| η | 0.0017125 | Pa×s | 378.74 | Calculated Property |
| η | 0.0009343 | Pa×s | 412.23 | Calculated Property |
| η | 0.0005583 | Pa×s | 445.73 | Calculated Property |
| η | 0.0003586 | Pa×s | 479.22 | Calculated Property |
| η | 0.0002440 | Pa×s | 512.71 | Calculated Property |
| η | 0.0001740 | Pa×s | 546.21 | Calculated Property |
| η | 0.0001291 | Pa×s | 579.70 | Calculated Property |
| η | 0.0000989 | Pa×s | 613.19 | Calculated Property |
| η | 0.0000779 | Pa×s | 646.69 | Calculated Property |
| η | 0.0000629 | Pa×s | 680.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl isopropyl ether.
Sources
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