- InChI
- InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
- InChI Key
- XDIAMRVROCPPBK-UHFFFAOYSA-N
- Formula
- C5H13N
- SMILES
- CC(C)(C)CN
- Molecular Weight1
- 87.16
- CAS
- 5813-64-9
- Other Names
-
- 1-Propanamine, 2,2-dimethyl-
- 2,2-Dimethyl-1-propylamine
- 2,2-Dimethylpropylamine
- neo-C5H11NH2
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3329 | Relay (1.0) Calculated Property | |
| PAff | 928.30 | kJ/mol | NIST |
| BasG | 894.00 | kJ/mol | NIST |
| ΔfG° | 60.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.50; 9.30] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | 8.50 ± 0.10 | eV | NIST |
| IE | 9.30 | eV | NIST |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.991 | Crippen Calculated Property | |
| McVol | 91.290 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 355.65 ± 5.00 | K | NIST |
| Tc | 523.96 | K | Relay (1.0) Calculated Property |
| Tfus | 267.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.309 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.46; 314.72] | 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 | -1.96390e+01 | |||
| Coefficient B | 6.66560e-01 | |||
| Coefficient C | -4.63400e-04 | |||
| Coefficient D | 1.31200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 163.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 193.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 240.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 259.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 290.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 314.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [264.06; 379.53] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.32972e+01 | |||
| Coefficient B | -2.38798e+03 | |||
| Coefficient C | -8.05000e+01 | |||
| Temperature range, min. | 264.06 | |||
| Temperature range, max. | 379.53 | |||
| Pvap | 1.33 | kPa | 264.06 | Calculated Property |
| Pvap | 3.12 | kPa | 276.89 | Calculated Property |
| Pvap | 6.58 | kPa | 289.72 | Calculated Property |
| Pvap | 12.72 | kPa | 302.55 | Calculated Property |
| Pvap | 22.88 | kPa | 315.38 | Calculated Property |
| Pvap | 38.74 | kPa | 328.21 | Calculated Property |
| Pvap | 62.28 | kPa | 341.04 | Calculated Property |
| Pvap | 95.76 | kPa | 353.87 | Calculated Property |
| Pvap | 141.66 | kPa | 366.70 | Calculated Property |
| Pvap | 202.64 | kPa | 379.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Neopentylamine.
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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