- InChI
- InChI=1S/C31H64/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-31(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3
- InChI Key
- XFBQTKNSZUZQFV-UHFFFAOYSA-N
- Formula
- C31H64
- SMILES
-
CCCCCCCCCCCCCCCC(C)CCCCCCCCCCC
CCC - Molecular Weight1
- 436.84
- Other Names
-
- Triacontane, 15-methyl
- 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 | 1.2018 | Relay (1.0) Calculated Property | |
| ΔfG° | 207.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 153.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.195 | Crippen Calculated Property | |
| McVol | 447.650 | ml/mol | McGowan Calculated Property |
| Pc | 570.69 | kPa | Joback Calculated Property |
| Inp | [3025.00; 3032.00] |
|
|
| Inp | 3025.00 | NIST | |
| Inp | 3032.00 | NIST | |
| Inp | 3031.00 | NIST | |
| Inp | 3031.00 | NIST | |
| Inp | 3025.00 | NIST | |
| Inp | 3031.00 | NIST | |
| Tboil | 645.19 | K | Relay (1.0) Calculated Property |
| Tc | 819.37 | K | Relay (1.0) Calculated Property |
| Tfus | 299.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.766 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.79; 1619.19] | 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 | -2.69730e+01 | |||
| Coefficient B | 2.95476e+00 | |||
| Coefficient C | -1.66580e-03 | |||
| Coefficient D | 3.57200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 662.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 825.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 971.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1102.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1218.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1320.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1410.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1489.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1559.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1619.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011568; 0.0000334] | Pa×s | [424.13; 785.73] |
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 | -1.44654e+01 | |||
| Coefficient B | 3.26722e+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. | 424.13 | |||
| Temperature range, max. | 785.73 | |||
| η | 0.0011568 | Pa×s | 424.13 | Calculated Property |
| η | 0.0005940 | Pa×s | 464.31 | Calculated Property |
| η | 0.0003392 | Pa×s | 504.48 | Calculated Property |
| η | 0.0002103 | Pa×s | 544.66 | Calculated Property |
| η | 0.0001393 | Pa×s | 584.84 | Calculated Property |
| η | 0.0000973 | Pa×s | 625.02 | Calculated Property |
| η | 0.0000709 | Pa×s | 665.19 | Calculated Property |
| η | 0.0000536 | Pa×s | 705.37 | Calculated Property |
| η | 0.0000418 | Pa×s | 745.55 | Calculated Property |
| η | 0.0000334 | Pa×s | 785.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 15-Methyltriacontane.
Sources
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