- InChI
- InChI=1S/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3
- InChI Key
- KFDIDIIKNMZLRZ-UHFFFAOYSA-N
- Formula
- C6H16N2
- SMILES
- CC(C)NCCCN
- Molecular Weight1
- 116.20
- CAS
- 3360-16-5
- Other Names
-
- 1,3-Propanediamine, N-isopropyl-
- N-Isopropyl-1,3-propanediamine
- N-Isopropyl-1,3-propylenediamine
- N-Isopropyltrimethylenediamine
- N-isopropylpropane-1,3-diamine
- 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).
- 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).
- 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° | 153.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.64 | kJ/mol | Joback Calculated Property |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | 0.333 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Tboil | 435.20 | K | NIST |
| Tc | 646.74 | K | Joback Calculated Property |
| Tfus | 278.30 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.54; 320.87] | J/mol×K | [458.94; 646.74] | 
|
| Cp,gas | 254.54 | J/mol×K | 458.94 | Joback Calculated Property |
| Cp,gas | 266.91 | J/mol×K | 490.24 | Joback Calculated Property |
| Cp,gas | 278.73 | J/mol×K | 521.54 | Joback Calculated Property |
| Cp,gas | 290.02 | J/mol×K | 552.84 | Joback Calculated Property |
| Cp,gas | 300.80 | J/mol×K | 584.14 | Joback Calculated Property |
| Cp,gas | 311.08 | J/mol×K | 615.44 | Joback Calculated Property |
| Cp,gas | 320.87 | J/mol×K | 646.74 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [330.12; 460.18] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56635e+01 | |||
| Coefficient B | -4.12072e+03 | |||
| Coefficient C | -6.21220e+01 | |||
| Temperature range, min. | 330.12 | |||
| Temperature range, max. | 460.18 | |||
| Pvap | 1.33 | kPa | 330.12 | Calculated Property |
| Pvap | 2.93 | kPa | 344.57 | Calculated Property |
| Pvap | 5.96 | kPa | 359.02 | Calculated Property |
| Pvap | 11.34 | kPa | 373.47 | Calculated Property |
| Pvap | 20.40 | kPa | 387.92 | Calculated Property |
| Pvap | 34.91 | kPa | 402.38 | Calculated Property |
| Pvap | 57.18 | kPa | 416.83 | Calculated Property |
| Pvap | 90.10 | kPa | 431.28 | Calculated Property |
| Pvap | 137.21 | kPa | 445.73 | Calculated Property |
| Pvap | 202.65 | kPa | 460.18 | Calculated Property |
Similar Compounds
![1,3-Propanediamine, N'-[3-(dimethylamino)propyl]-N,N-dimethyl-.](data:image/png;base64,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)
Find more compounds similar to 1,3-Propanediamine, N-(1-methylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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