- InChI
- InChI=1S/C31H64/c1-9-15-27(4)18-11-19-29(6)22-13-23-31(8)25-14-24-30(7)21-12-20-28(5)17-10-16-26(2)3/h26-31H,9-25H2,1-8H3
- InChI Key
- WSZVWBJWCXODEZ-UHFFFAOYSA-N
- Formula
- C31H64
- SMILES
-
CCCC(C)CCCC(C)CCCC(C)CCCC(C)CC
CC(C)CCCC(C)C - Molecular Weight1
- 436.85
- 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 | 1.0057 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.474 | Crippen Calculated Property | |
| McVol | 447.650 | ml/mol | McGowan Calculated Property |
| Pc | 581.76 | kPa | Joback Calculated Property |
| Inp | [2710.00; 2711.00] |
|
|
| Inp | 2711.00 | NIST | |
| Inp | 2710.00 | NIST | |
| Inp | 2711.00 | NIST | |
| Inp | 2710.00 | NIST | |
| Inp | 2710.00 | NIST | |
| Inp | 2711.00 | NIST | |
| Tboil | 653.69 | K | Relay (1.0) Calculated Property |
| Tc | 818.78 | K | Relay (1.0) Calculated Property |
| Tfus | 225.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.695 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.22; 1621.88] | 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 | -3.53830e+01 | |||
| Coefficient B | 2.98436e+00 | |||
| Coefficient C | -1.68180e-03 | |||
| Coefficient D | 3.54700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 661.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 825.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 973.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1104.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1221.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1324.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1414.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1493.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1562.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1621.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053237; 0.0000226] | Pa×s | [349.13; 779.03] |
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 | -1.51354e+01 | |||
| Coefficient B | 3.45632e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 349.13 | |||
| Temperature range, max. | 779.03 | |||
| η | 0.0053237 | Pa×s | 349.13 | Calculated Property |
| η | 0.0016172 | Pa×s | 396.90 | Calculated Property |
| η | 0.0006346 | Pa×s | 444.66 | Calculated Property |
| η | 0.0002986 | Pa×s | 492.43 | Calculated Property |
| η | 0.0001605 | Pa×s | 540.20 | Calculated Property |
| η | 0.0000954 | Pa×s | 587.96 | Calculated Property |
| η | 0.0000614 | Pa×s | 635.73 | Calculated Property |
| η | 0.0000420 | Pa×s | 683.50 | Calculated Property |
| η | 0.0000302 | Pa×s | 731.26 | Calculated Property |
| η | 0.0000226 | Pa×s | 779.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane, 2,6,10,14,18,22-hexamethyl.
Sources
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