- InChI
- InChI=1S/C40H82/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h33-40H,11-32H2,1-10H3
- InChI Key
- OTWVBTPAKJZTME-UHFFFAOYSA-N
- Formula
- C40H82
- SMILES
-
CCC(C)CCCC(C)CCCC(C)CCCC(C)CCC
C(C)CCCC(C)CCCC(C)CCCC(C)C - Molecular Weight1
- 563.08
- 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 | 1.2385 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1050.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 161.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.697 | Crippen Calculated Property | |
| McVol | 574.460 | ml/mol | McGowan Calculated Property |
| Pc | 400.96 | kPa | Joback Calculated Property |
| Inp | [3444.00; 3454.00] |
|
|
| Inp | 3454.00 | NIST | |
| Inp | 3444.00 | NIST | |
| Inp | 3454.00 | NIST | |
| Inp | 3444.00 | NIST | |
| Inp | 3444.00 | NIST | |
| Inp | 3454.00 | NIST | |
| Tboil | 715.63 | K | Relay (1.0) Calculated Property |
| Tc | 877.38 | K | Relay (1.0) Calculated Property |
| Tfus | 220.51 | K | Relay (1.0) Calculated Property |
| Vc | 2.157 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.52; 2087.27] | 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 | -4.69280e+01 | |||
| Coefficient B | 3.85120e+00 | |||
| Coefficient C | -2.17780e-03 | |||
| Coefficient D | 4.60800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 851.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1063.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1253.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1422.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1572.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1705.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1821.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1922.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2010.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2087.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014630; 0.0000034] | Pa×s | [420.56; 1004.29] |
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 | -1.69405e+01 | |||
| Coefficient B | 4.37940e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 420.56 | |||
| Temperature range, max. | 1004.29 | |||
| η | 0.0014630 | Pa×s | 420.56 | Calculated Property |
| η | 0.0003639 | Pa×s | 485.42 | Calculated Property |
| η | 0.0001256 | Pa×s | 550.28 | Calculated Property |
| η | 0.0000543 | Pa×s | 615.14 | Calculated Property |
| η | 0.0000275 | Pa×s | 679.99 | Calculated Property |
| η | 0.0000157 | Pa×s | 744.85 | Calculated Property |
| η | 0.0000098 | Pa×s | 809.71 | Calculated Property |
| η | 0.0000066 | Pa×s | 874.57 | Calculated Property |
| η | 0.0000046 | Pa×s | 939.43 | Calculated Property |
| η | 0.0000034 | Pa×s | 1004.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Dotriacontane, 2,6,10,14,18,22,26,30-octamethyl.
Sources
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