- InChI
- InChI=1S/C14H28ClN/c1-4-6-8-10-16(11-9-7-5-2)13-14(3)12-15/h12H,4-11,13H2,1-3H3/b14-12-
- InChI Key
- LBFSKUKLJZLKTD-OWBHPGMISA-N
- Formula
- C14H28ClN
- SMILES
- CCCCCN(CCCCC)CC(C)=CCl
- Molecular Weight1
- 245.83
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -205.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.97 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.811 | Crippen Calculated Property | |
| McVol | 226.040 | ml/mol | McGowan Calculated Property |
| Inp | [1525.20; 1525.20] |
|
|
| Inp | 1525.20 | NIST | |
| Inp | 1525.20 | NIST | |
| I | [1651.30; 1651.30] |
|
|
| I | 1651.30 | NIST | |
| I | 1651.30 | NIST | |
| Tboil | 542.25 | K | Relay (1.0) Calculated Property |
| Tfus | 229.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [317.54; 757.05] | 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 | -2.15110e+01 | |||
| Coefficient B | 1.48446e+00 | |||
| Coefficient C | -9.56900e-04 | |||
| Coefficient D | 2.51000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 317.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 395.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 463.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 523.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 576.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 622.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 663.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 698.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 729.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 757.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Z-(3-Chloro-2-methyl-allyl)-dipentyl-amine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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