- InChI
- InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3
- InChI Key
- DDHUNHGZUHZNKB-UHFFFAOYSA-N
- Formula
- C5H14N2
- SMILES
- CC(C)(CN)CN
- Molecular Weight1
- 102.18
- CAS
- 7328-91-8
- Other Names
-
- 1,3-Propanediamine, 2,2-dimethyl-
- 2,2-Dimethyltrimethylenediamine
- 2,2-dimethylpropane-1,3-diamine
- Neopentylenediamine
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | 126.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.71 | kJ/mol | Joback Calculated Property |
| log10WS | -0.54 | Crippen Calculated Property | |
| logPoct/wat | -0.070 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 4082.92 | kPa | Joback Calculated Property |
| Tboil | 426.20 | K | NIST |
| Tc | 663.85 | K | Joback Calculated Property |
| Tfus | 315.05 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.99; 288.68] | J/mol×K | [455.63; 663.85] | 
|
| Cp,gas | 226.99 | J/mol×K | 455.63 | Joback Calculated Property |
| Cp,gas | 238.95 | J/mol×K | 490.33 | Joback Calculated Property |
| Cp,gas | 250.18 | J/mol×K | 525.04 | Joback Calculated Property |
| Cp,gas | 260.74 | J/mol×K | 559.74 | Joback Calculated Property |
| Cp,gas | 270.65 | J/mol×K | 594.45 | Joback Calculated Property |
| Cp,gas | 279.96 | J/mol×K | 629.15 | Joback Calculated Property |
| Cp,gas | 288.68 | J/mol×K | 663.85 | Joback Calculated Property |
| ΔfusH | 1.70 | kJ/mol | 301.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.38; 202.67] | kPa | [303.15; 450.76] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56590e+01 | |||
| Coefficient B | -4.04730e+03 | |||
| Coefficient C | -5.96200e+01 | |||
| Temperature range, min. | 303.15 | |||
| Temperature range, max. | 450.76 | |||
| Pvap | 0.38 | kPa | 303.15 | Calculated Property |
| Pvap | 1.09 | kPa | 319.55 | Calculated Property |
| Pvap | 2.75 | kPa | 335.95 | Calculated Property |
| Pvap | 6.25 | kPa | 352.35 | Calculated Property |
| Pvap | 13.02 | kPa | 368.75 | Calculated Property |
| Pvap | 25.19 | kPa | 385.16 | Calculated Property |
| Pvap | 45.72 | kPa | 401.56 | Calculated Property |
| Pvap | 78.60 | kPa | 417.96 | Calculated Property |
| Pvap | 128.86 | kPa | 434.36 | Calculated Property |
| Pvap | 202.67 | kPa | 450.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethyl-1,3-propanediamine.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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