- InChI
- InChI=1S/C27H56O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28-26-4-2/h3-27H2,1-2H3
- InChI Key
- RAFAURBKYDVXOJ-UHFFFAOYSA-N
- Formula
- C27H56O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCOCCC
- 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 | 1.1619 | Relay (1.0) Calculated Property | |
| ΔfG° | 71.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.015 | Crippen Calculated Property | |
| McVol | 397.160 | ml/mol | McGowan Calculated Property |
| Pc | 682.78 | kPa | Joback Calculated Property |
| Inp | 2780.00 | NIST | |
| Tboil | 629.76 | K | Relay (1.0) Calculated Property |
| Tc | 807.42 | K | Relay (1.0) Calculated Property |
| Tfus | 303.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.582 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.66; 1430.79] | 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 | 3.84500e+00 | |||
| Coefficient B | 2.50564e+00 | |||
| Coefficient C | -1.33400e-03 | |||
| Coefficient D | 2.55300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 593.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 734.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 861.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 975.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1077.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1167.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1247.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1317.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1378.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1430.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010370; 0.0000507] | Pa×s | [416.28; 720.77] |
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 | -1.40177e+01 | |||
| Coefficient B | 2.97485e+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. | 416.28 | |||
| Temperature range, max. | 720.77 | |||
| η | 0.0010370 | Pa×s | 416.28 | Calculated Property |
| η | 0.0006060 | Pa×s | 450.11 | Calculated Property |
| η | 0.0003818 | Pa×s | 483.94 | Calculated Property |
| η | 0.0002555 | Pa×s | 517.78 | Calculated Property |
| η | 0.0001796 | Pa×s | 551.61 | Calculated Property |
| η | 0.0001315 | Pa×s | 585.44 | Calculated Property |
| η | 0.0000996 | Pa×s | 619.27 | Calculated Property |
| η | 0.0000777 | Pa×s | 653.11 | Calculated Property |
| η | 0.0000621 | Pa×s | 686.94 | Calculated Property |
| η | 0.0000507 | Pa×s | 720.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Propyl tetracosyl ether.
Sources
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