- InChI
- InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3
- InChI Key
- NIDGCIPAMWNKOA-UHFFFAOYSA-N
- Formula
- C20H38
- SMILES
- C=CC(=C)CCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 278.52
- Other Names
-
- Neophytadiene isomer # 1
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 | 0.7045 | Relay (1.0) Calculated Property | |
| ΔfusH° | 33.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.60 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.168 | Crippen Calculated Property | |
| McVol | 284.060 | ml/mol | McGowan Calculated Property |
| Pc | 1092.82 | kPa | Joback Calculated Property |
| Inp | [1841.00; 1862.00] |
|
|
| Inp | 1841.00 | NIST | |
| Inp | 1862.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Tboil | 578.47 | K | Relay (1.0) Calculated Property |
| Tc | 742.01 | K | Relay (1.0) Calculated Property |
| Tfus | 225.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.041 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.35; 995.47] | 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 | -2.60110e+01 | |||
| Coefficient B | 1.88148e+00 | |||
| Coefficient C | -1.12190e-03 | |||
| Coefficient D | 2.61900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 409.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 510.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 601.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 681.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 752.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 814.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 869.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 917.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 958.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 995.47 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Neophytadiene (Isomer 1).
Sources
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