- InChI
- InChI=1S/C31H64/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-27-31(4)29-25-28-30(3)26-23-21-10-8-6-2/h30-31H,5-29H2,1-4H3
- InChI Key
- FYQOTTSVWGTMPP-UHFFFAOYSA-N
- Formula
- C31H64
- SMILES
-
CCCCCCCCCCCCCCCCCC(C)CCCC(C)CC
CCCCC - Molecular Weight1
- 436.85
- 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 | 1.1596 | Relay (1.0) Calculated Property | |
| ΔfG° | 205.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.051 | Crippen Calculated Property | |
| McVol | 447.650 | ml/mol | McGowan Calculated Property |
| Pc | 572.88 | kPa | Joback Calculated Property |
| Inp | [2966.00; 2966.00] |
|
|
| Inp | 2966.00 | NIST | |
| Inp | 2966.00 | NIST | |
| Tboil | 646.88 | K | Relay (1.0) Calculated Property |
| Tc | 821.27 | K | Relay (1.0) Calculated Property |
| Tfus | 280.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.749 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.48; 1619.72] | 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 | -2.86550e+01 | |||
| Coefficient B | 2.96068e+00 | |||
| Coefficient C | -1.66900e-03 | |||
| Coefficient D | 3.56700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 662.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 825.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 972.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1102.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1218.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1321.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1411.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1490.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1559.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1619.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014719; 0.0000309] | Pa×s | [409.13; 784.17] |
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 | -1.45994e+01 | |||
| Coefficient B | 3.30504e+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. | 409.13 | |||
| Temperature range, max. | 784.17 | |||
| η | 0.0014719 | Pa×s | 409.13 | Calculated Property |
| η | 0.0006976 | Pa×s | 450.80 | Calculated Property |
| η | 0.0003751 | Pa×s | 492.47 | Calculated Property |
| η | 0.0002222 | Pa×s | 534.14 | Calculated Property |
| η | 0.0001420 | Pa×s | 575.82 | Calculated Property |
| η | 0.0000964 | Pa×s | 617.49 | Calculated Property |
| η | 0.0000687 | Pa×s | 659.16 | Calculated Property |
| η | 0.0000510 | Pa×s | 700.83 | Calculated Property |
| η | 0.0000391 | Pa×s | 742.50 | Calculated Property |
| η | 0.0000309 | Pa×s | 784.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonacosane, 8,12-dimethyl.
Sources
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