- InChI
- InChI=1S/C6H13N/c1-6(7)4-2-3-5-6/h2-5,7H2,1H3
- InChI Key
- TWASBYPJZBHZQJ-UHFFFAOYSA-N
- Formula
- C6H13N
- SMILES
- CC1(N)CCCC1
- Molecular Weight1
- 99.17
- CAS
- 40571-45-7
- Other Names
-
- 1-methylcyclopentanamine
- 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).
- Pvap : Vapor 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 | 0.3259 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.278 | Crippen Calculated Property | |
| McVol | 94.520 | ml/mol | McGowan Calculated Property |
| Pc | 4374.18 | kPa | Joback Calculated Property |
| Inp | [789.00; 789.00] |
|
|
| Inp | 789.00 | NIST | |
| Inp | 789.00 | NIST | |
| Tboil | 273.15 ± 4.00 | K | NIST |
| Tc | 587.94 | K | Relay (1.0) Calculated Property |
| Tfus | 237.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.330 | 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 | [115.98; 355.47] | 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 | -1.06550e+02 | |||
| Coefficient B | 1.05932e+00 | |||
| Coefficient C | -1.00600e-03 | |||
| Coefficient D | 4.08700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 115.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 160.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 228.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 276.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 296.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 315.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 334.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 355.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [293.32; 438.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37115e+01 | |||
| Coefficient B | -3.25660e+03 | |||
| Coefficient C | -5.07240e+01 | |||
| Temperature range, min. | 293.32 | |||
| Temperature range, max. | 438.41 | |||
| Pvap | 1.33 | kPa | 293.32 | Calculated Property |
| Pvap | 3.08 | kPa | 309.44 | Calculated Property |
| Pvap | 6.44 | kPa | 325.56 | Calculated Property |
| Pvap | 12.42 | kPa | 341.68 | Calculated Property |
| Pvap | 22.34 | kPa | 357.80 | Calculated Property |
| Pvap | 37.92 | kPa | 373.93 | Calculated Property |
| Pvap | 61.20 | kPa | 390.05 | Calculated Property |
| Pvap | 94.58 | kPa | 406.17 | Calculated Property |
| Pvap | 140.75 | kPa | 422.29 | Calculated Property |
| Pvap | 202.64 | kPa | 438.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanamine, 1-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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