- InChI
- InChI=1S/C36H74/c1-10-31(4)21-14-23-35(8)27-15-24-32(5)19-11-12-20-33(6)25-16-28-36(9)29-17-26-34(7)22-13-18-30(2)3/h30-36H,10-29H2,1-9H3
- InChI Key
- PROBMWQXWBZMED-UHFFFAOYSA-N
- Formula
- C36H74
- SMILES
-
CCC(C)CCCC(C)CCCC(C)CCCCC(C)CC
CC(C)CCCC(C)CCCC(C)C - Molecular Weight1
- 506.97
- 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 | 1.1424 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.281 | Crippen Calculated Property | |
| McVol | 518.100 | ml/mol | McGowan Calculated Property |
| Pc | 468.91 | kPa | Joback Calculated Property |
| Inp | 3139.00 | NIST | |
| Tboil | 688.46 | K | Relay (1.0) Calculated Property |
| Tc | 853.25 | K | Relay (1.0) Calculated Property |
| Tfus | 226.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.954 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.98; 1880.37] | 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 | -4.16100e+01 | |||
| Coefficient B | 3.46528e+00 | |||
| Coefficient C | -1.95700e-03 | |||
| Coefficient D | 4.13700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 766.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 957.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1128.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1281.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1416.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1535.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1640.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1731.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1811.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1880.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025761; 0.0000084] | Pa×s | [390.48; 894.93] |
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 | -1.61155e+01 | |||
| Coefficient B | 3.96494e+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. | 390.48 | |||
| Temperature range, max. | 894.93 | |||
| η | 0.0025761 | Pa×s | 390.48 | Calculated Property |
| η | 0.0007201 | Pa×s | 446.53 | Calculated Property |
| η | 0.0002675 | Pa×s | 502.58 | Calculated Property |
| η | 0.0001212 | Pa×s | 558.63 | Calculated Property |
| η | 0.0000635 | Pa×s | 614.68 | Calculated Property |
| η | 0.0000370 | Pa×s | 670.73 | Calculated Property |
| η | 0.0000235 | Pa×s | 726.78 | Calculated Property |
| η | 0.0000159 | Pa×s | 782.83 | Calculated Property |
| η | 0.0000113 | Pa×s | 838.88 | Calculated Property |
| η | 0.0000084 | Pa×s | 894.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonacosane, 2,6,10,14,19,23,27-heptamethyl.
Sources
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