- InChI
- InChI=1S/C6H15N/c1-4-5-7-6(2)3/h6-7H,4-5H2,1-3H3
- InChI Key
- VLSTXUUYLIALPB-UHFFFAOYSA-N
- Formula
- C6H15N
- SMILES
- CCCNC(C)C
- Molecular Weight1
- 101.19
- CAS
- 21968-17-2
- Other Names
-
- N-isopropylpropylamine
- Propylisopropylamine
- isopropy-n-propylamine
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 86.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.30 ± 0.10 | kJ/mol | NIST |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.394 | Crippen Calculated Property | |
| McVol | 105.380 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Inp | 694.00 | NIST | |
| Tboil | 369.65 ± 3.00 | K | NIST |
| Tc | 560.25 | K | Joback Calculated Property |
| Tfus | 195.04 | K | Joback Calculated Property |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.15; 263.15] | J/mol×K | [386.41; 560.25] | 
|
| Cp,gas | 199.15 | J/mol×K | 386.41 | Joback Calculated Property |
| Cp,gas | 210.90 | J/mol×K | 415.38 | Joback Calculated Property |
| Cp,gas | 222.20 | J/mol×K | 444.36 | Joback Calculated Property |
| Cp,gas | 233.07 | J/mol×K | 473.33 | Joback Calculated Property |
| Cp,gas | 243.51 | J/mol×K | 502.30 | Joback Calculated Property |
| Cp,gas | 253.53 | J/mol×K | 531.27 | Joback Calculated Property |
| Cp,gas | 263.15 | J/mol×K | 560.25 | Joback Calculated Property |
| ΔvapH | [33.00; 36.20] | kJ/mol | [313.00; 358.00] |
|
| ΔvapH | 36.20 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 35.20 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 36.20 | kJ/mol | 340.50 | NIST |
| ΔvapH | 34.10 ± 0.10 | kJ/mol | 343.00 | NIST |
| ΔvapH | 33.00 ± 0.10 | kJ/mol | 358.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [280.73; 391.95] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41714e+01 | |||
| Coefficient B | -2.72333e+03 | |||
| Coefficient C | -8.45770e+01 | |||
| Temperature range, min. | 280.73 | |||
| Temperature range, max. | 391.95 | |||
| Pvap | 1.33 | kPa | 280.73 | Calculated Property |
| Pvap | 3.04 | kPa | 293.09 | Calculated Property |
| Pvap | 6.30 | kPa | 305.45 | Calculated Property |
| Pvap | 12.12 | kPa | 317.80 | Calculated Property |
| Pvap | 21.81 | kPa | 330.16 | Calculated Property |
| Pvap | 37.10 | kPa | 342.52 | Calculated Property |
| Pvap | 60.11 | kPa | 354.88 | Calculated Property |
| Pvap | 93.38 | kPa | 367.23 | Calculated Property |
| Pvap | 139.81 | kPa | 379.59 | Calculated Property |
| Pvap | 202.63 | kPa | 391.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, N-(1-methylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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