- InChI
- InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
- InChI Key
- MTPJEFOSTIKRSS-UHFFFAOYSA-N
- Formula
- C5H10N2
- SMILES
- CN(C)CCC#N
- Molecular Weight1
- 98.15
- CAS
- 1738-25-6
- Other Names
-
- 3-(Dimethylamino)propanenitrile
- 3-(Dimethylamino)propionitrile
- 3-(N,N-Dimethylamino)propionitrile
- 3-Dimethylaminopropanonitrile
- 3-dimethylaminopropiononitrile
- DMAPN
- Dimethylaminopropionitrile
- N,N-(Dimethylamino)-3-propionitrile
- NSC 232
- Propionitrile, 3-(dimethylamino)-
- beta-Dimethylaminopropionitrile
- «beta»-(Dimethylamino)propionitrile
- «beta»-(N-Dimethylamino)propionitrile
- «beta»-(Dimethylamino)propionitrile
- «beta»-(N-Dimethylamino)propionitrile
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | [-3440.30; -3434.00] | kJ/mol |
|
| ΔcH°liquid | -3440.30 ± 0.50 | kJ/mol | NIST |
| ΔcH°liquid | -3434.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 235.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [90.40; 96.70] | kJ/mol |
|
| ΔfH°gas | 96.70 | kJ/mol | NIST |
| ΔfH°gas | 90.40 | kJ/mol | NIST |
| ΔfH°liquid | 43.60 ± 0.50 | kJ/mol | NIST |
| ΔfusH° | 13.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.05 | kJ/mol | NIST |
| log10WS | -0.35 | Crippen Calculated Property | |
| logPoct/wat | 0.462 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| S°liquid | 266.40 | J/mol×K | NIST |
| Tboil | 446.20 | K | NIST |
| Tc | 616.90 | K | Joback Calculated Property |
| Tfus | [228.35; 228.85] | K |
|
| Tfus | 228.50 ± 0.60 | K | NIST |
| Tfus | 228.35 ± 0.35 | K | NIST |
| Tfus | 228.85 ± 0.20 | K | NIST |
| Vc | 0.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.63; 229.39] | J/mol×K | [428.32; 616.90] |
|
| Cp,gas | 180.63 | J/mol×K | 428.32 | Joback Calculated Property |
| Cp,gas | 189.79 | J/mol×K | 459.75 | Joback Calculated Property |
| Cp,gas | 198.52 | J/mol×K | 491.18 | Joback Calculated Property |
| Cp,gas | 206.83 | J/mol×K | 522.61 | Joback Calculated Property |
| Cp,gas | 214.74 | J/mol×K | 554.04 | Joback Calculated Property |
| Cp,gas | 222.25 | J/mol×K | 585.47 | Joback Calculated Property |
| Cp,gas | 229.39 | J/mol×K | 616.90 | Joback Calculated Property |
| Cp,liquid | 212.50 | J/mol×K | 298.15 | NIST |
| ΔvapH | [44.10; 52.40] | kJ/mol | [303.50; 387.50] |
|
| ΔvapH | 44.10 ± 0.20 | kJ/mol | 303.50 | NIST |
| ΔvapH | 52.40 | kJ/mol | 369.00 | NIST |
| ΔvapH | 45.90 | kJ/mol | 387.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 444.20 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.67] | kPa | [324.25; 473.38] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.62669e+01 | |||
| Coefficient B | -5.00354e+03 | |||
| Coefficient C | -1.66600e+01 | |||
| Temperature range, min. | 324.25 | |||
| Temperature range, max. | 473.38 | |||
| Pvap | 1.00 | kPa | 324.25 | Calculated Property |
| Pvap | 2.30 | kPa | 340.82 | Calculated Property |
| Pvap | 4.87 | kPa | 357.39 | Calculated Property |
| Pvap | 9.61 | kPa | 373.96 | Calculated Property |
| Pvap | 17.88 | kPa | 390.53 | Calculated Property |
| Pvap | 31.56 | kPa | 407.10 | Calculated Property |
| Pvap | 53.17 | kPa | 423.67 | Calculated Property |
| Pvap | 86.01 | kPa | 440.24 | Calculated Property |
| Pvap | 134.17 | kPa | 456.81 | Calculated Property |
| Pvap | 202.67 | kPa | 473.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-(dimethylamino)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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