- InChI
- InChI=1S/C29H60/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)3/h29H,4-28H2,1-3H3
- InChI Key
- YGCGPCUUTAKOEU-UHFFFAOYSA-N
- Formula
- C29H60
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)
C - Molecular Weight1
- 408.80
- Other Names
-
- Octacosane, 2-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 1.1461 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.415 | Crippen Calculated Property | |
| McVol | 419.470 | ml/mol | McGowan Calculated Property |
| Pc | 626.88 | kPa | Joback Calculated Property |
| Inp | [2857.00; 2865.70] |
|
|
| Inp | 2864.00 | NIST | |
| Inp | 2858.00 | NIST | |
| Inp | 2862.00 | NIST | |
| Inp | Outlier 2857.00 | NIST | |
| Inp | 2860.60 | NIST | |
| Inp | 2865.00 | NIST | |
| Inp | 2865.70 | NIST | |
| Inp | 2864.00 | NIST | |
| Inp | 2864.20 | NIST | |
| Inp | 2860.00 | NIST | |
| Inp | 2864.00 | NIST | |
| Inp | 2865.70 | NIST | |
| Inp | 2864.00 | NIST | |
| Tboil | 634.86 | K | Relay (1.0) Calculated Property |
| Tc | 806.23 | K | Relay (1.0) Calculated Property |
| Tfus | 316.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 114.20 | kJ/mol | 582.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.37; 1516.00] | 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 | -2.51550e+01 | |||
| Coefficient B | 2.76476e+00 | |||
| Coefficient C | -1.55700e-03 | |||
| Coefficient D | 3.33400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 620.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 772.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 909.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1031.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1140.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1236.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1320.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1394.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1459.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1516.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015539; 0.0000463] | Pa×s | [401.59; 741.47] |
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 | -1.41338e+01 | |||
| Coefficient B | 3.07890e+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. | 401.59 | |||
| Temperature range, max. | 741.47 | |||
| η | 0.0015539 | Pa×s | 401.59 | Calculated Property |
| η | 0.0008039 | Pa×s | 439.35 | Calculated Property |
| η | 0.0004617 | Pa×s | 477.12 | Calculated Property |
| η | 0.0002876 | Pa×s | 514.88 | Calculated Property |
| η | 0.0001911 | Pa×s | 552.65 | Calculated Property |
| η | 0.0001338 | Pa×s | 590.41 | Calculated Property |
| η | 0.0000978 | Pa×s | 628.17 | Calculated Property |
| η | 0.0000741 | Pa×s | 665.94 | Calculated Property |
| η | 0.0000578 | Pa×s | 703.70 | Calculated Property |
| η | 0.0000463 | Pa×s | 741.47 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyloctacosane.
Sources
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