- InChI
- InChI=1S/C39H80/c1-7-9-11-13-14-15-16-17-18-19-20-21-22-24-29-37(4)31-26-33-39(6)35-27-34-38(5)32-25-30-36(3)28-23-12-10-8-2/h36-39H,7-35H2,1-6H3
- InChI Key
- MQZKZWKIMHLBIZ-UHFFFAOYSA-N
- Formula
- C39H80
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCC
C(C)CCCC(C)CCCCCC - Molecular Weight1
- 549.05
- 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 | 1.3558 | Relay (1.0) Calculated Property | |
| ΔfG° | 267.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 82.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 173.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.883 | Crippen Calculated Property | |
| McVol | 560.370 | ml/mol | McGowan Calculated Property |
| Pc | 411.44 | kPa | Joback Calculated Property |
| Inp | [3614.00; 3628.00] |
|
|
| Inp | 3628.00 | NIST | |
| Inp | 3614.00 | NIST | |
| Inp | 3628.00 | NIST | |
| Inp | 3628.00 | NIST | |
| Inp | 3614.00 | NIST | |
| Tboil | 700.32 | K | Relay (1.0) Calculated Property |
| Tc | 870.30 | K | Relay (1.0) Calculated Property |
| Tfus | 261.97 | K | Relay (1.0) Calculated Property |
| Vc | 2.154 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [831.56; 2033.53] | 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 | -3.92910e+01 | |||
| Coefficient B | 3.73252e+00 | |||
| Coefficient C | -2.11060e-03 | |||
| Coefficient D | 4.50900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 831.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1037.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1221.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1385.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1531.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1660.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1773.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1872.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1958.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2033.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005981; 0.0000058] | Pa×s | [469.29; 990.75] |
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 | -1.62308e+01 | |||
| Coefficient B | 4.13396e+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. | 469.29 | |||
| Temperature range, max. | 990.75 | |||
| η | 0.0005981 | Pa×s | 469.29 | Calculated Property |
| η | 0.0002272 | Pa×s | 527.23 | Calculated Property |
| η | 0.0001045 | Pa×s | 585.17 | Calculated Property |
| η | 0.0000553 | Pa×s | 643.11 | Calculated Property |
| η | 0.0000325 | Pa×s | 701.05 | Calculated Property |
| η | 0.0000207 | Pa×s | 758.99 | Calculated Property |
| η | 0.0000141 | Pa×s | 816.93 | Calculated Property |
| η | 0.0000101 | Pa×s | 874.87 | Calculated Property |
| η | 0.0000075 | Pa×s | 932.81 | Calculated Property |
| η | 0.0000058 | Pa×s | 990.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 7,11,15,19-tetramethylpentatriacontane.
Sources
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