- InChI
- InChI=1S/C21H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h21H,4-20H2,1-3H3
- InChI Key
- DCZWEVHGJXFVJU-UHFFFAOYSA-N
- Formula
- C21H44O
- SMILES
- CCCCCCCCCCCCCCCCCCOC(C)C
- Molecular Weight1
- 312.57
- 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 | 0.9156 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.673 | Crippen Calculated Property | |
| McVol | 312.620 | ml/mol | McGowan Calculated Property |
| Pc | 950.84 | kPa | Joback Calculated Property |
| Inp | 2125.00 | NIST | |
| Tboil | 586.74 | K | Relay (1.0) Calculated Property |
| Tc | 757.15 | K | Relay (1.0) Calculated Property |
| Tfus | 290.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.242 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.06; 1121.78] | 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 | 7.61700e+00 | |||
| Coefficient B | 1.94156e+00 | |||
| Coefficient C | -1.01080e-03 | |||
| Coefficient D | 1.83400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 466.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 576.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 675.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 764.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 844.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 915.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 978.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1033.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1080.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1121.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028507; 0.0001047] | Pa×s | [333.66; 607.12] |
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 | -1.31961e+01 | |||
| Coefficient B | 2.44771e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 333.66 | |||
| Temperature range, max. | 607.12 | |||
| η | 0.0028507 | Pa×s | 333.66 | Calculated Property |
| η | 0.0015454 | Pa×s | 364.04 | Calculated Property |
| η | 0.0009206 | Pa×s | 394.43 | Calculated Property |
| η | 0.0005906 | Pa×s | 424.81 | Calculated Property |
| η | 0.0004021 | Pa×s | 455.20 | Calculated Property |
| η | 0.0002872 | Pa×s | 485.58 | Calculated Property |
| η | 0.0002134 | Pa×s | 515.97 | Calculated Property |
| η | 0.0001639 | Pa×s | 546.35 | Calculated Property |
| η | 0.0001295 | Pa×s | 576.74 | Calculated Property |
| η | 0.0001047 | Pa×s | 607.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl octadecyl ether.
Sources
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