- InChI
- InChI=1S/C12H25N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
- InChI Key
- JONZUVQOOJCVFT-UHFFFAOYSA-N
- Formula
- C12H25N
- SMILES
- CCCN(CCC)C1CCCCC1
- Molecular Weight1
- 183.34
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4247 | Relay (1.0) Calculated Property | |
| ΔfG° | 185.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.441 | Crippen Calculated Property | |
| McVol | 179.060 | ml/mol | McGowan Calculated Property |
| Pc | 2129.52 | kPa | Joback Calculated Property |
| Inp | 1267.00 | NIST | |
| Tboil | 501.14 | K | Relay (1.0) Calculated Property |
| Tc | 693.30 | K | Relay (1.0) Calculated Property |
| Tfus | 219.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.44; 661.52] | 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 | -8.43160e+01 | |||
| Coefficient B | 1.38984e+00 | |||
| Coefficient C | -8.22600e-04 | |||
| Coefficient D | 1.78600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 378.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 437.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 489.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 534.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 574.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 607.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 636.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 661.52 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanamine, N,N-dipropyl.
Sources
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