- InChI
- InChI=1S/C26H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-26(27)24-19-22-25-20-17-18-21-25/h25H,2-24H2,1H3
- InChI Key
- MEDPYMMZEVIBCH-UHFFFAOYSA-N
- Formula
- C26H50O
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)CCCC1CCC
C1 - Molecular Weight1
- 378.67
- CAS
- 56247-96-2
- 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).
- 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 | 1.0288 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.178 | Crippen Calculated Property | |
| McVol | 367.910 | ml/mol | McGowan Calculated Property |
| Pc | 830.02 | kPa | Joback Calculated Property |
| Tboil | 657.80 | K | Relay (1.0) Calculated Property |
| Tc | 860.72 | K | Relay (1.0) Calculated Property |
| Tfus | 326.65 ± 2.00 | K | NIST |
| Vc | 1.396 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.74; 1333.01] | 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 | -7.38710e+01 | |||
| Coefficient B | 2.57752e+00 | |||
| Coefficient C | -1.49930e-03 | |||
| Coefficient D | 3.28660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 524.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 664.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 790.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 901.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 999.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1085.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1161.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1226.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1283.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1333.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0160787; 0.0001096] | Pa×s | [326.65; 740.46] |
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 | -1.30563e+01 | |||
| Coefficient B | 2.91569e+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. | 326.65 | |||
| Temperature range, max. | 740.46 | |||
| η | 0.0160787 | Pa×s | 326.65 | Calculated Property |
| η | 0.0053447 | Pa×s | 372.63 | Calculated Property |
| η | 0.0022630 | Pa×s | 418.61 | Calculated Property |
| η | 0.0011358 | Pa×s | 464.59 | Calculated Property |
| η | 0.0006454 | Pa×s | 510.56 | Calculated Property |
| η | 0.0004027 | Pa×s | 556.54 | Calculated Property |
| η | 0.0002700 | Pa×s | 602.52 | Calculated Property |
| η | 0.0001916 | Pa×s | 648.50 | Calculated Property |
| η | 0.0001423 | Pa×s | 694.48 | Calculated Property |
| η | 0.0001096 | Pa×s | 740.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heneicosanone, 1-cyclopentyl-.
Sources
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