- InChI
- InChI=1S/C27H56O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-27(2)3/h27H,4-26H2,1-3H3
- InChI Key
- PHUVVQVFIORWTP-UHFFFAOYSA-N
- Formula
- C27H56O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCOC(C)C
- Molecular Weight1
- 396.73
- 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 | 1.1261 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.013 | Crippen Calculated Property | |
| McVol | 397.160 | ml/mol | McGowan Calculated Property |
| Pc | 685.65 | kPa | Joback Calculated Property |
| Inp | 2724.00 | NIST | |
| Tboil | 625.10 | K | Relay (1.0) Calculated Property |
| Tc | 801.11 | K | Relay (1.0) Calculated Property |
| Tfus | 308.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.576 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.34; 1431.32] | 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 | 2.16300e+00 | |||
| Coefficient B | 2.51156e+00 | |||
| Coefficient C | -1.33720e-03 | |||
| Coefficient D | 2.54800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 593.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 734.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 861.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 976.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1078.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1168.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1248.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1318.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1378.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1431.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013017; 0.0000469] | Pa×s | [401.28; 719.99] |
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 | -1.41517e+01 | |||
| Coefficient B | 3.01267e+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. | 401.28 | |||
| Temperature range, max. | 719.99 | |||
| η | 0.0013017 | Pa×s | 401.28 | Calculated Property |
| η | 0.0007081 | Pa×s | 436.69 | Calculated Property |
| η | 0.0004221 | Pa×s | 472.10 | Calculated Property |
| η | 0.0002704 | Pa×s | 507.52 | Calculated Property |
| η | 0.0001836 | Pa×s | 542.93 | Calculated Property |
| η | 0.0001307 | Pa×s | 578.34 | Calculated Property |
| η | 0.0000968 | Pa×s | 613.75 | Calculated Property |
| η | 0.0000740 | Pa×s | 649.16 | Calculated Property |
| η | 0.0000582 | Pa×s | 684.58 | Calculated Property |
| η | 0.0000469 | Pa×s | 719.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl tetracosyl ether.
Sources
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