- InChI
- InChI=1S/C19H28/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,6-9,12-15,18-19H,1,4-5,10-11,16-17H2,2H3/b8-6-,9-7-,14-12-,15-13-,19-18-
- InChI Key
- NXMZAVSBUAXPCH-KAVCOGNJSA-N
- Formula
- C19H28
- SMILES
-
C=CC/C=C\C/C=C\C/C=C\C/C=C\C/C
=C\CC - Molecular Weight1
- 256.43
- 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.
- Ip : 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 | 0.3248 | Relay (1.0) Calculated Property | |
| ΔfG° | 598.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 28.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.314 | Crippen Calculated Property | |
| McVol | 252.770 | ml/mol | McGowan Calculated Property |
| Pc | 1331.98 | kPa | Joback Calculated Property |
| Inp | 1808.00 | NIST | |
| Ip | 2188.00 | NIST | |
| Tboil | 559.23 | K | Relay (1.0) Calculated Property |
| Tc | 731.58 | K | Relay (1.0) Calculated Property |
| Tfus | 222.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.72; 818.14] | 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 | -8.82840e+01 | |||
| Coefficient B | 1.88882e+00 | |||
| Coefficient C | -1.45170e-03 | |||
| Coefficient D | 4.69300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 328.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 419.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 496.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 563.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 621.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 670.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 713.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 751.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 785.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 818.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028881; 0.0000740] | Pa×s | [276.73; 587.90] |
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 | -1.27691e+01 | |||
| Coefficient B | 1.91552e+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. | 276.73 | |||
| Temperature range, max. | 587.90 | |||
| η | 0.0028881 | Pa×s | 276.73 | Calculated Property |
| η | 0.0013389 | Pa×s | 311.30 | Calculated Property |
| η | 0.0007238 | Pa×s | 345.88 | Calculated Property |
| η | 0.0004376 | Pa×s | 380.45 | Calculated Property |
| η | 0.0002877 | Pa×s | 415.03 | Calculated Property |
| η | 0.0002017 | Pa×s | 449.60 | Calculated Property |
| η | 0.0001488 | Pa×s | 484.18 | Calculated Property |
| η | 0.0001143 | Pa×s | 518.75 | Calculated Property |
| η | 0.0000908 | Pa×s | 553.33 | Calculated Property |
| η | 0.0000740 | Pa×s | 587.90 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-1,4,7,10,13,16-nonadecahexaene.
Sources
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