- InChI
- InChI=1S/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27(2)28/h3-26H2,1-2H3
- InChI Key
- XTQVKPPRJQPCIJ-UHFFFAOYSA-N
- Formula
- C27H54O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCOC(C)
=O - Molecular Weight1
- 410.72
- 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 | 1.2109 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -928.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.542 | Crippen Calculated Property | |
| McVol | 398.730 | ml/mol | McGowan Calculated Property |
| Pc | 690.70 | kPa | Joback Calculated Property |
| Inp | [2895.22; 2895.22] |
|
|
| Inp | 2895.22 | NIST | |
| Inp | 2895.22 | NIST | |
| Tboil | 639.17 | K | Relay (1.0) Calculated Property |
| Tc | 824.01 | K | Relay (1.0) Calculated Property |
| Tfus | 325.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.579 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.59; 1420.39] | 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 | 3.75400e+00 | |||
| Coefficient B | 2.51404e+00 | |||
| Coefficient C | -1.35040e-03 | |||
| Coefficient D | 2.53000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 594.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 735.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 862.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 975.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1076.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1165.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1243.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1311.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1370.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1420.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009744; 0.0000430] | Pa×s | [436.38; 752.44] |
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 | -1.43641e+01 | |||
| Coefficient B | 3.24248e+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. | 436.38 | |||
| Temperature range, max. | 752.44 | |||
| η | 0.0009744 | Pa×s | 436.38 | Calculated Property |
| η | 0.0005603 | Pa×s | 471.50 | Calculated Property |
| η | 0.0003478 | Pa×s | 506.62 | Calculated Property |
| η | 0.0002297 | Pa×s | 541.73 | Calculated Property |
| η | 0.0001596 | Pa×s | 576.85 | Calculated Property |
| η | 0.0001156 | Pa×s | 611.97 | Calculated Property |
| η | 0.0000867 | Pa×s | 647.09 | Calculated Property |
| η | 0.0000670 | Pa×s | 682.20 | Calculated Property |
| η | 0.0000531 | Pa×s | 717.32 | Calculated Property |
| η | 0.0000430 | Pa×s | 752.44 | Calculated Property |
Similar Compounds
Find more compounds similar to pentacosyl acetate.
Sources
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