- InChI
- InChI=1S/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25,27H,3-24,26,28-29H2,1-2H3/b27-25+
- InChI Key
- BXDVXJGLEVABDI-IMVLJIQESA-N
- Formula
- C29H58
- SMILES
- CCCCCCCCCCCCC=CCCCCCCCCCCCCCCC
- Molecular Weight1
- 406.77
- 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 | 1.1058 | Relay (1.0) Calculated Property | |
| ΔfG° | 273.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.335 | Crippen Calculated Property | |
| McVol | 415.170 | ml/mol | McGowan Calculated Property |
| Pc | 640.92 | kPa | Joback Calculated Property |
| Inp | [2878.00; 2878.00] |
|
|
| Inp | 2878.00 | NIST | |
| Inp | 2878.00 | NIST | |
| Tboil | 635.95 | K | Relay (1.0) Calculated Property |
| Tc | 812.27 | K | Relay (1.0) Calculated Property |
| Tfus | 300.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.645 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.68; 1484.89] | 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 | -3.76550e+01 | |||
| Coefficient B | 2.77884e+00 | |||
| Coefficient C | -1.63760e-03 | |||
| Coefficient D | 3.81300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 606.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 757.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 891.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1011.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1117.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1211.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1293.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1365.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1429.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1484.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011611; 0.0000436] | Pa×s | [411.51; 745.02] |
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 | -1.40907e+01 | |||
| Coefficient B | 3.01732e+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. | 411.51 | |||
| Temperature range, max. | 745.02 | |||
| η | 0.0011611 | Pa×s | 411.51 | Calculated Property |
| η | 0.0006336 | Pa×s | 448.57 | Calculated Property |
| η | 0.0003792 | Pa×s | 485.62 | Calculated Property |
| η | 0.0002441 | Pa×s | 522.68 | Calculated Property |
| η | 0.0001666 | Pa×s | 559.74 | Calculated Property |
| η | 0.0001192 | Pa×s | 596.79 | Calculated Property |
| η | 0.0000887 | Pa×s | 633.85 | Calculated Property |
| η | 0.0000682 | Pa×s | 670.91 | Calculated Property |
| η | 0.0000539 | Pa×s | 707.96 | Calculated Property |
| η | 0.0000436 | Pa×s | 745.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 13-Nonacosene.
Sources
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