- InChI
- InChI=1S/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3
- InChI Key
- LSICDRUYCNGRIF-UHFFFAOYSA-N
- Formula
- C9H21N
- SMILES
- CCCCCCCN(C)C
- Molecular Weight1
- 143.27
- CAS
- 5277-11-2
- Other Names
-
- Dimethyl(n-heptyl)amine
- N,N-dimethylheptylamine
- 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).
- 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 | 0.4688 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 147.650 | ml/mol | McGowan Calculated Property |
| Pc | 2302.53 | kPa | Joback Calculated Property |
| Inp | [1102.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Tboil | [443.15; 445.15] | K |
|
| Tboil | 443.15 ± 3.00 | K | NIST |
| Tboil | 445.15 ± 3.00 | K | NIST |
| Tc | 610.91 | K | Relay (1.0) Calculated Property |
| Tfus | 201.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.91; 521.68] | 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 | -1.59840e+01 | |||
| Coefficient B | 9.82760e-01 | |||
| Coefficient C | -5.78400e-04 | |||
| Coefficient D | 1.33300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 265.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 312.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 355.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 392.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 425.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 454.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 479.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 502.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 521.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [338.12; 467.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58840e+01 | |||
| Coefficient B | -4.26123e+03 | |||
| Coefficient C | -6.49020e+01 | |||
| Temperature range, min. | 338.12 | |||
| Temperature range, max. | 467.95 | |||
| Pvap | 1.33 | kPa | 338.12 | Calculated Property |
| Pvap | 2.91 | kPa | 352.55 | Calculated Property |
| Pvap | 5.91 | kPa | 366.97 | Calculated Property |
| Pvap | 11.25 | kPa | 381.40 | Calculated Property |
| Pvap | 20.23 | kPa | 395.82 | Calculated Property |
| Pvap | 34.64 | kPa | 410.25 | Calculated Property |
| Pvap | 56.81 | kPa | 424.67 | Calculated Property |
| Pvap | 89.69 | kPa | 439.10 | Calculated Property |
| Pvap | 136.87 | kPa | 453.52 | Calculated Property |
| Pvap | 202.66 | kPa | 467.95 | Calculated Property |
Similar Compounds
Find more compounds similar to DIMETHYLHEPTYLAMINE.
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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