- InChI
- InChI=1S/C41H84/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-41(3)39-37-35-33-31-29-27-19-17-15-13-11-9-7-5-2/h41H,4-40H2,1-3H3
- InChI Key
- OSGCMGMZLYRPJP-UHFFFAOYSA-N
- Formula
- C41H84
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCC(C)CCC
CCCCCCCCCCCCC - Molecular Weight1
- 577.11
- 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 | 1.5521 | Relay (1.0) Calculated Property | |
| ΔfG° | 291.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 98.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 200.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 16.096 | Crippen Calculated Property | |
| McVol | 588.550 | ml/mol | McGowan Calculated Property |
| Pc | 377.62 | kPa | Joback Calculated Property |
| Inp | [4026.00; 4026.00] |
|
|
| Inp | 4026.00 | NIST | |
| Inp | 4026.00 | NIST | |
| Tboil | 707.14 | K | Relay (1.0) Calculated Property |
| Tc | 875.00 | K | Relay (1.0) Calculated Property |
| Tfus | 317.34 | K | Relay (1.0) Calculated Property |
| Vc | 2.310 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [874.93; 2135.10] | 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 | -3.60630e+01 | |||
| Coefficient B | 3.90476e+00 | |||
| Coefficient C | -2.20980e-03 | |||
| Coefficient D | 4.76200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 874.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1089.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1282.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1454.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1607.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1742.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1861.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1965.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2055.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2135.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002395; 0.0000047] | Pa×s | [536.83; 1074.45] |
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 | -1.61769e+01 | |||
| Coefficient B | 4.20882e+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. | 536.83 | |||
| Temperature range, max. | 1074.45 | |||
| η | 0.0002395 | Pa×s | 536.83 | Calculated Property |
| η | 0.0001093 | Pa×s | 596.57 | Calculated Property |
| η | 0.0000575 | Pa×s | 656.30 | Calculated Property |
| η | 0.0000337 | Pa×s | 716.04 | Calculated Property |
| η | 0.0000214 | Pa×s | 775.77 | Calculated Property |
| η | 0.0000145 | Pa×s | 835.51 | Calculated Property |
| η | 0.0000104 | Pa×s | 895.24 | Calculated Property |
| η | 0.0000077 | Pa×s | 954.98 | Calculated Property |
| η | 0.0000060 | Pa×s | 1014.72 | Calculated Property |
| η | 0.0000047 | Pa×s | 1074.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetracontane, 17-methyl.
Sources
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