- InChI
- InChI=1S/C39H80/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-39(3)37-35-33-31-29-27-25-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3
- InChI Key
- IIIFHZNRMYPHAO-UHFFFAOYSA-N
- Formula
- C39H80
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(C)CCCCC
CCCCCCCCCCC - Molecular Weight1
- 549.07
- 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 | 1.4821 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 93.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 191.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.316 | Crippen Calculated Property | |
| McVol | 560.370 | ml/mol | McGowan Calculated Property |
| Pc | 407.46 | kPa | Joback Calculated Property |
| Inp | 3822.00 | NIST | |
| Tboil | 694.79 | K | Relay (1.0) Calculated Property |
| Tc | 864.31 | K | Relay (1.0) Calculated Property |
| Tfus | 314.21 | K | Relay (1.0) Calculated Property |
| Vc | 2.201 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.50; 2031.91] | 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 | -3.42450e+01 | |||
| Coefficient B | 3.71476e+00 | |||
| Coefficient C | -2.10100e-03 | |||
| Coefficient D | 4.52400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 832.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1037.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1220.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1384.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1529.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1657.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1770.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1870.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1956.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2031.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003317; 0.0000073] | Pa×s | [514.29; 1004.91] |
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 | -1.58288e+01 | |||
| Coefficient B | 4.02050e+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. | 514.29 | |||
| Temperature range, max. | 1004.91 | |||
| η | 0.0003317 | Pa×s | 514.29 | Calculated Property |
| η | 0.0001568 | Pa×s | 568.80 | Calculated Property |
| η | 0.0000845 | Pa×s | 623.32 | Calculated Property |
| η | 0.0000503 | Pa×s | 677.83 | Calculated Property |
| η | 0.0000324 | Pa×s | 732.34 | Calculated Property |
| η | 0.0000221 | Pa×s | 786.86 | Calculated Property |
| η | 0.0000159 | Pa×s | 841.37 | Calculated Property |
| η | 0.0000119 | Pa×s | 895.88 | Calculated Property |
| η | 0.0000092 | Pa×s | 950.39 | Calculated Property |
| η | 0.0000073 | Pa×s | 1004.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Octatriacontane, 17-methyl.
Sources
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