- InChI
- InChI=1S/C31H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23H,3-20,22,24-31H2,1-2H3/b23-21+
- InChI Key
- VGZOSTWZBYHAJH-XTQSDGFTSA-N
- Formula
- C31H62
- SMILES
-
CCCCCCCCCCC=CCCCCCCCCCCCCCCCCC
CC - Molecular Weight1
- 434.82
- 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 | 1.1759 | Relay (1.0) Calculated Property | |
| ΔfG° | 290.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.115 | Crippen Calculated Property | |
| McVol | 443.350 | ml/mol | McGowan Calculated Property |
| Pc | 582.88 | kPa | Joback Calculated Property |
| Inp | [3070.00; 3070.00] |
|
|
| Inp | 3070.00 | NIST | |
| Inp | 3070.00 | NIST | |
| Tboil | 648.40 | K | Relay (1.0) Calculated Property |
| Tc | 824.20 | K | Relay (1.0) Calculated Property |
| Tfus | 304.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.755 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.11; 1588.07] | 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 | -3.94730e+01 | |||
| Coefficient B | 2.96884e+00 | |||
| Coefficient C | -1.74640e-03 | |||
| Coefficient D | 4.05100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 649.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 810.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 954.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1082.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1195.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1295.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1383.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1460.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1528.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1588.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008791; 0.0000317] | Pa×s | [434.05; 788.93] |
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 | -1.44220e+01 | |||
| Coefficient B | 3.20564e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 434.05 | |||
| Temperature range, max. | 788.93 | |||
| η | 0.0008791 | Pa×s | 434.05 | Calculated Property |
| η | 0.0004752 | Pa×s | 473.48 | Calculated Property |
| η | 0.0002824 | Pa×s | 512.91 | Calculated Property |
| η | 0.0001808 | Pa×s | 552.34 | Calculated Property |
| η | 0.0001228 | Pa×s | 591.78 | Calculated Property |
| η | 0.0000875 | Pa×s | 631.21 | Calculated Property |
| η | 0.0000649 | Pa×s | 670.64 | Calculated Property |
| η | 0.0000498 | Pa×s | 710.07 | Calculated Property |
| η | 0.0000393 | Pa×s | 749.50 | Calculated Property |
| η | 0.0000317 | Pa×s | 788.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 11-Hentriacontene.
Sources
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