- InChI
- InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3
- InChI Key
- SEGJNMCIMOLEDM-UHFFFAOYSA-N
- Formula
- C9H21N
- SMILES
- CCCCCCCCNC
- Molecular Weight1
- 143.27
- CAS
- 2439-54-5
- Other Names
-
- Methyl n-octyl amine
- Methyloctylamine
- N-Methyl-N-n-octylamine
- N-Methyl-n-octylamine
- N-Methyloctylamine
- N-Octyl-N-methylamine
- Octylamine, N-methyl-
- Octylmethylamine
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 | 0.5332 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.566 | Crippen Calculated Property | |
| McVol | 147.650 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [1085.00; 1090.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1086.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Tboil | 461.97 | K | Relay (1.0) Calculated Property |
| Tc | 633.32 | K | Relay (1.0) Calculated Property |
| Tfus | 262.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.20 | kJ/mol | 436.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.59; 520.54] | 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 | -6.50300e+00 | |||
| Coefficient B | 9.35040e-01 | |||
| Coefficient C | -5.14400e-04 | |||
| Coefficient D | 1.06400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 264.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 311.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 353.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 390.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 423.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 452.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 478.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 501.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 520.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [349.88; 479.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62386e+01 | |||
| Coefficient B | -4.48051e+03 | |||
| Coefficient C | -6.89880e+01 | |||
| Temperature range, min. | 349.88 | |||
| Temperature range, max. | 479.02 | |||
| Pvap | 1.33 | kPa | 349.88 | Calculated Property |
| Pvap | 2.89 | kPa | 364.23 | Calculated Property |
| Pvap | 5.85 | kPa | 378.58 | Calculated Property |
| Pvap | 11.10 | kPa | 392.93 | Calculated Property |
| Pvap | 19.96 | kPa | 407.28 | Calculated Property |
| Pvap | 34.22 | kPa | 421.62 | Calculated Property |
| Pvap | 56.24 | kPa | 435.97 | Calculated Property |
| Pvap | 89.04 | kPa | 450.32 | Calculated Property |
| Pvap | 136.34 | kPa | 464.67 | Calculated Property |
| Pvap | 202.63 | kPa | 479.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octanamine, N-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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