- InChI
- InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h7,9,12-15,18-19H,3-6,8,10-11,16-17H2,1-2H3/b9-7-,14-12-,15-13-,19-18-
- InChI Key
- KKTQCVJMEADYPN-OLRBJXQPSA-N
- Formula
- C19H32
- SMILES
- CCCC=CCC=CCC=CCC=CCCCCC
- Molecular Weight1
- 260.46
- 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.
- I : 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 | 0.4898 | Relay (1.0) Calculated Property | |
| ΔfG° | 429.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.762 | Crippen Calculated Property | |
| McVol | 261.370 | ml/mol | McGowan Calculated Property |
| Pc | 1245.09 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| I | [2070.00; 2070.00] |
|
|
| I | 2070.00 | NIST | |
| I | 2070.00 | NIST | |
| Tboil | 562.78 | K | Relay (1.0) Calculated Property |
| Tc | 729.09 | K | Relay (1.0) Calculated Property |
| Tfus | 253.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.921 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.53; 877.23] | 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 | -7.11110e+01 | |||
| Coefficient B | 1.88884e+00 | |||
| Coefficient C | -1.34500e-03 | |||
| Coefficient D | 4.04500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 352.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 446.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 528.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 600.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 662.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 716.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 763.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 805.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 842.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 877.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032278; 0.0000865] | Pa×s | [283.57; 581.18] |
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 | -1.28045e+01 | |||
| Coefficient B | 2.00444e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 283.57 | |||
| Temperature range, max. | 581.18 | |||
| η | 0.0032278 | Pa×s | 283.57 | Calculated Property |
| η | 0.0015428 | Pa×s | 316.64 | Calculated Property |
| η | 0.0008479 | Pa×s | 349.71 | Calculated Property |
| η | 0.0005168 | Pa×s | 382.77 | Calculated Property |
| η | 0.0003408 | Pa×s | 415.84 | Calculated Property |
| η | 0.0002389 | Pa×s | 448.91 | Calculated Property |
| η | 0.0001759 | Pa×s | 481.98 | Calculated Property |
| η | 0.0001347 | Pa×s | 515.05 | Calculated Property |
| η | 0.0001065 | Pa×s | 548.11 | Calculated Property |
| η | 0.0000865 | Pa×s | 581.18 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-4,7,10,13-nonadecatetraene.
Sources
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