- InChI
- InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3
- InChI Key
- AXFVIWBTKYFOCY-UHFFFAOYSA-N
- Formula
- C8H20N2
- SMILES
- CC(CCN(C)C)N(C)C
- Molecular Weight1
- 144.26
- CAS
- 97-84-7
- Other Names
-
- 1,3-Bis(dimethylamino)butane
- 1,3-Butanediamine, N1,N1,N3,N3-tetramethyl-
- 1,3-Diaminobutane, N,N,N',N'-tetramethyl-
- N,N,N',N''-Tetramethylbutane-1,3-diamine
- N,N,N',N',1-pentamethyltrimethylenediamine
- N,N,N',N'-Tetramethyl-1,3-butanediamine
- N,N,N',N'-Tetramethyl-1,3-diaminobutane
- N,N,N',N'-Tetramethylbutane-1,3-diamine
- N,N,N1,N1-Tetramethyl-1,3-diaminobutane
- NSC 35411
- Tetramethylbutane-1,3-diamine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.888 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Tboil | 438.20 | K | NIST |
| Tfus | 194.02 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [42.70; 49.20] | kJ/mol | [318.00; 387.00] | 
|
| ΔvapH | 49.20 | kJ/mol | 318.00 | NIST |
| ΔvapH | 42.70 | kJ/mol | 387.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.89; 508.65] | 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 | -2.74480e+01 | |||
| Coefficient B | 1.01760e+00 | |||
| Coefficient C | -6.39800e-04 | |||
| Coefficient D | 1.58300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 348.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 385.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 417.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 445.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 469.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 490.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 508.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.89; 202.67] | kPa | [325.15; 463.45] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56179e+01 | |||
| Coefficient B | -4.12890e+03 | |||
| Coefficient C | -6.28310e+01 | |||
| Temperature range, min. | 325.15 | |||
| Temperature range, max. | 463.45 | |||
| Pvap | 0.89 | kPa | 325.15 | Calculated Property |
| Pvap | 2.11 | kPa | 340.52 | Calculated Property |
| Pvap | 4.61 | kPa | 355.88 | Calculated Property |
| Pvap | 9.31 | kPa | 371.25 | Calculated Property |
| Pvap | 17.57 | kPa | 386.62 | Calculated Property |
| Pvap | 31.30 | kPa | 401.98 | Calculated Property |
| Pvap | 53.06 | kPa | 417.35 | Calculated Property |
| Pvap | 86.08 | kPa | 432.72 | Calculated Property |
| Pvap | 134.36 | kPa | 448.08 | Calculated Property |
| Pvap | 202.67 | kPa | 463.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butanediamine, N,N,N',N'-tetramethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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