- InChI
- InChI=1S/C29H60/c1-5-7-9-11-13-14-15-16-17-18-20-22-25-29(4)27-23-26-28(3)24-21-19-12-10-8-6-2/h28-29H,5-27H2,1-4H3
- InChI Key
- MTSZDHFVGBEJLQ-UHFFFAOYSA-N
- Formula
- C29H60
- SMILES
-
CCCCCCCCCCCCCCC(C)CCCC(C)CCCCC
CCC - Molecular Weight1
- 408.80
- 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 | 1.0897 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.271 | Crippen Calculated Property | |
| McVol | 419.470 | ml/mol | McGowan Calculated Property |
| Pc | 629.40 | kPa | Joback Calculated Property |
| Inp | [2756.00; 2765.00] |
|
|
| Inp | 2765.00 | NIST | |
| Inp | 2757.00 | NIST | |
| Inp | 2756.00 | NIST | |
| Inp | 2762.00 | NIST | |
| Inp | 2762.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Tboil | 634.36 | K | Relay (1.0) Calculated Property |
| Tc | 809.16 | K | Relay (1.0) Calculated Property |
| Tfus | 275.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.639 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.05; 1516.54] | 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 | -2.68370e+01 | |||
| Coefficient B | 2.77068e+00 | |||
| Coefficient C | -1.56020e-03 | |||
| Coefficient D | 3.32900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 620.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 772.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 909.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1032.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1140.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1237.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1321.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1395.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1460.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1516.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020179; 0.0000428] | Pa×s | [386.59; 740.49] |
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 | -1.42678e+01 | |||
| Coefficient B | 3.11672e+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. | 386.59 | |||
| Temperature range, max. | 740.49 | |||
| η | 0.0020179 | Pa×s | 386.59 | Calculated Property |
| η | 0.0009586 | Pa×s | 425.91 | Calculated Property |
| η | 0.0005165 | Pa×s | 465.23 | Calculated Property |
| η | 0.0003064 | Pa×s | 504.56 | Calculated Property |
| η | 0.0001960 | Pa×s | 543.88 | Calculated Property |
| η | 0.0001332 | Pa×s | 583.20 | Calculated Property |
| η | 0.0000950 | Pa×s | 622.52 | Calculated Property |
| η | 0.0000706 | Pa×s | 661.85 | Calculated Property |
| η | 0.0000542 | Pa×s | 701.17 | Calculated Property |
| η | 0.0000428 | Pa×s | 740.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,13-dimethylheptacosane.
Sources
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