- InChI
- InChI=1S/C40H82/c1-4-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-40(3)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3
- InChI Key
- OSFLEUHONBIQCN-UHFFFAOYSA-N
- Formula
- C40H82
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCC
CCCCCCCCCCCC - Molecular Weight1
- 563.10
- Other Names
-
- 19-methylnonatriacontane
- 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 | 1.5171 | Relay (1.0) Calculated Property | |
| ΔfG° | 283.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -878.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 95.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 195.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.706 | Crippen Calculated Property | |
| McVol | 574.460 | ml/mol | McGowan Calculated Property |
| Pc | 392.12 | kPa | Joback Calculated Property |
| Inp | [3920.00; 3929.00] |
|
|
| Inp | 3920.00 | NIST | |
| Inp | 3920.00 | NIST | |
| Inp | 3929.00 | NIST | |
| Inp | 3929.00 | NIST | |
| Tboil | 700.97 | K | Relay (1.0) Calculated Property |
| Tc | 869.68 | K | Relay (1.0) Calculated Property |
| Tfus | 315.86 | K | Relay (1.0) Calculated Property |
| Vc | 2.255 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.72; 2083.51] | 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 | -3.51540e+01 | |||
| Coefficient B | 3.80976e+00 | |||
| Coefficient C | -2.15540e-03 | |||
| Coefficient D | 4.64300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 853.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1063.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1251.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1419.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1568.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1700.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1815.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1917.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2006.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2083.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002820; 0.0000059] | Pa×s | [525.56; 1038.74] |
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 | -1.60025e+01 | |||
| Coefficient B | 4.11466e+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. | 525.56 | |||
| Temperature range, max. | 1038.74 | |||
| η | 0.0002820 | Pa×s | 525.56 | Calculated Property |
| η | 0.0001311 | Pa×s | 582.58 | Calculated Property |
| η | 0.0000698 | Pa×s | 639.60 | Calculated Property |
| η | 0.0000412 | Pa×s | 696.62 | Calculated Property |
| η | 0.0000264 | Pa×s | 753.64 | Calculated Property |
| η | 0.0000180 | Pa×s | 810.66 | Calculated Property |
| η | 0.0000129 | Pa×s | 867.68 | Calculated Property |
| η | 0.0000096 | Pa×s | 924.70 | Calculated Property |
| η | 0.0000074 | Pa×s | 981.72 | Calculated Property |
| η | 0.0000059 | Pa×s | 1038.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonatricosane, 19-methyl.
Sources
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