- InChI
- InChI=1S/C12H21N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3
- InChI Key
- FXBJYRVIFGLPBC-UHFFFAOYSA-N
- Formula
- C12H21N
- SMILES
- C=C(C)CN(CC(=C)C)CC(=C)C
- Molecular Weight1
- 179.30
- CAS
- 6321-40-0
- Other Names
-
- (CH2=C(CH3)CH2)3N
- 2-Propen-1-amine, 2-methyl-N,N-bis(2-methyl-2-propenyl)-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4455 | Relay (1.0) Calculated Property | |
| PAff | 980.20 | kJ/mol | NIST |
| BasG | 949.40 | kJ/mol | NIST |
| ΔfG° | 398.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | NIST |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.017 | Crippen Calculated Property | |
| McVol | 177.020 | ml/mol | McGowan Calculated Property |
| Pc | 2009.10 | kPa | Joback Calculated Property |
| Tboil | 473.48 | K | Relay (1.0) Calculated Property |
| Tc | 635.10 | K | Relay (1.0) Calculated Property |
| Tfus | 245.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.32; 476.67] | J/mol×K | [476.08; 653.74] | 
|
| Cp,gas | 387.32 | J/mol×K | 476.08 | Joback Calculated Property |
| Cp,gas | 404.17 | J/mol×K | 505.69 | Joback Calculated Property |
| Cp,gas | 420.19 | J/mol×K | 535.30 | Joback Calculated Property |
| Cp,gas | 435.41 | J/mol×K | 564.91 | Joback Calculated Property |
| Cp,gas | 449.88 | J/mol×K | 594.52 | Joback Calculated Property |
| Cp,gas | 463.62 | J/mol×K | 624.13 | Joback Calculated Property |
| Cp,gas | 476.67 | J/mol×K | 653.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Tris(2-methylallyl)amine.
Sources
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