- InChI
- InChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3
- InChI Key
- JYDYHSHPBDZRPU-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- CC1CCCC(N)C1
- Molecular Weight1
- 113.20
- CAS
- 6850-35-7
- Other Names
-
- 3-Methylcyclohexylamine, (cis+trans)
- 3-methylcyclohexylamine, mixed isomers
- Cyclohexanamine, 3-methyl-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.3189 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4718.30 | kJ/mol | NIST |
| ΔfG° | 91.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.524 | Crippen Calculated Property | |
| McVol | 108.610 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Inp | [926.00; 927.00] |
|
|
| Inp | 926.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | Outlier 927.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 926.00 | NIST | |
| Ip | [1231.00; 1231.00] |
|
|
| Ip | 1231.00 | NIST | |
| Ip | 1231.00 | NIST | |
| Ip | 1231.00 | NIST | |
| Tboil | 416.59 | K | Relay (1.0) Calculated Property |
| Tc | 627.16 | K | Relay (1.0) Calculated Property |
| Tfus | 206.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.372 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.50; 408.17] | 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 | -5.66500e+01 | |||
| Coefficient B | 8.26320e-01 | |||
| Coefficient C | -4.26000e-04 | |||
| Coefficient D | 6.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 185.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 264.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 298.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 327.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 352.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 374.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 393.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 408.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [311.52; 440.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51825e+01 | |||
| Coefficient B | -3.76445e+03 | |||
| Coefficient C | -5.87860e+01 | |||
| Temperature range, min. | 311.52 | |||
| Temperature range, max. | 440.15 | |||
| Pvap | 1.33 | kPa | 311.52 | Calculated Property |
| Pvap | 2.96 | kPa | 325.81 | Calculated Property |
| Pvap | 6.06 | kPa | 340.10 | Calculated Property |
| Pvap | 11.57 | kPa | 354.40 | Calculated Property |
| Pvap | 20.81 | kPa | 368.69 | Calculated Property |
| Pvap | 35.55 | kPa | 382.98 | Calculated Property |
| Pvap | 58.04 | kPa | 397.27 | Calculated Property |
| Pvap | 91.07 | kPa | 411.57 | Calculated Property |
| Pvap | 137.99 | kPa | 425.86 | Calculated Property |
| Pvap | 202.65 | kPa | 440.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-METHYLCYCLOHEXYLAMINE.
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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