- InChI
- InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
- InChI Key
- KIDHWZJUCRJVML-UHFFFAOYSA-N
- Formula
- C4H12N2
- SMILES
- NCCCCN
- Molecular Weight1
- 88.15
- CAS
- 110-60-1
- Other Names
-
- 1,4-Butylenediamine
- 1,4-Diamino-n-butane
- 1,4-Diaminobutane
- 1,4-Tetramethylenediamine
- Butylenediamine
- H2N(CH2)4NH2
- NSC 60545
- Putrescin
- Putrescine
- Tetramethyldiamine
- Tetramethylenediamine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- SProt : Protonation entropy at 298K (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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| PAff | [977.40; 1010.00] | kJ/mol |
|
| PAff | 1005.60 | kJ/mol | NIST |
| PAff | 1005.60 ± 6.70 | kJ/mol | NIST |
| PAff | 982.30 | kJ/mol | NIST |
| PAff | 977.40 | kJ/mol | NIST |
| PAff | 991.60 ± 0.20 | kJ/mol | NIST |
| PAff | 993.00 ± 4.00 | kJ/mol | NIST |
| PAff | 999.10 | kJ/mol | NIST |
| PAff | 1010.00 | kJ/mol | NIST |
| BasG | [944.50; 960.80] | kJ/mol |
|
| BasG | 954.30 | kJ/mol | NIST |
| BasG | 951.10 | kJ/mol | NIST |
| BasG | 944.50 | kJ/mol | NIST |
| BasG | 960.80 ± 0.20 | kJ/mol | NIST |
| SProt | -83.00 | J/mol×K | NIST |
| ΔfG° | 115.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [51.84; 55.05] | kJ/mol |
|
| ΔfusH° | 55.05 | kJ/mol | Vapor p... |
| ΔfusH° | 54.87 | kJ/mol | Vapor p... |
| ΔfusH° | 54.87 | kJ/mol | Vapor p... |
| ΔfusH° | 54.87 | kJ/mol | Vapor p... |
| ΔfusH° | 54.51 | kJ/mol | Vapor p... |
| ΔfusH° | 54.37 | kJ/mol | Vapor p... |
| ΔfusH° | 54.37 | kJ/mol | Vapor p... |
| ΔfusH° | 54.15 | kJ/mol | Vapor p... |
| ΔfusH° | 53.86 | kJ/mol | Vapor p... |
| ΔfusH° | 53.86 | kJ/mol | Vapor p... |
| ΔfusH° | 53.79 | kJ/mol | Vapor p... |
| ΔfusH° | 53.43 | kJ/mol | Vapor p... |
| ΔfusH° | 53.36 | kJ/mol | Vapor p... |
| ΔfusH° | 53.36 | kJ/mol | Vapor p... |
| ΔfusH° | 53.07 | kJ/mol | Vapor p... |
| ΔfusH° | 52.85 | kJ/mol | Vapor p... |
| ΔfusH° | 52.86 | kJ/mol | Vapor p... |
| ΔfusH° | 52.72 | kJ/mol | Vapor p... |
| ΔfusH° | 52.35 | kJ/mol | Vapor p... |
| ΔfusH° | 52.35 | kJ/mol | Vapor p... |
| ΔfusH° | 52.35 | kJ/mol | Vapor p... |
| ΔfusH° | 51.84 | kJ/mol | Vapor p... |
| ΔvapH° | 45.78 | kJ/mol | Joback Calculated Property |
| log10WS | -0.37 | Crippen Calculated Property | |
| logPoct/wat | -0.316 | Crippen Calculated Property | |
| McVol | 87.180 | ml/mol | McGowan Calculated Property |
| Pc | 4540.00 | kPa | Critica... |
| Inp | [930.00; 930.00] |
|
|
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| I | 1434.00 | NIST | |
| Tboil | 431.70 | K | NIST |
| Tc | 633.30 | K | Joback Calculated Property |
| Tfus | 301.36 | K | Joback Calculated Property |
| Vc | 0.318 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.04; 235.99] | J/mol×K | [435.98; 633.30] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 180 190 200 210 220 230 240 450 500 550 600 | ||||
| Cp,gas | 185.04 | J/mol×K | 435.98 | Joback Calculated Property |
| Cp,gas | 194.56 | J/mol×K | 468.87 | Joback Calculated Property |
| Cp,gas | 203.66 | J/mol×K | 501.75 | Joback Calculated Property |
| Cp,gas | 212.34 | J/mol×K | 534.64 | Joback Calculated Property |
| Cp,gas | 220.61 | J/mol×K | 567.53 | Joback Calculated Property |
| Cp,gas | 228.49 | J/mol×K | 600.41 | Joback Calculated Property |
| Cp,gas | 235.99 | J/mol×K | 633.30 | Joback Calculated Property |
| Cp,liquid | [235.40; 246.50] | J/mol×K | [298.15; 353.20] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 236 238 240 242 244 246 300 320 340 | ||||
| Cp,liquid | 236.33 | J/mol×K | 298.15 | Heat Ca... |
| Cp,liquid | 236.45 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 236.61 | J/mol×K | 300.65 | Heat Ca... |
| Cp,liquid | 236.77 | J/mol×K | 302.15 | Heat Ca... |
| Cp,liquid | 235.40 | J/mol×K | 303.20 | Molar h... |
| Cp,liquid | 236.94 | J/mol×K | 303.65 | Heat Ca... |
| Cp,liquid | 237.09 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 237.25 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 237.41 | J/mol×K | 308.15 | Heat Ca... |
| Cp,liquid | 235.50 | J/mol×K | 308.20 | Molar h... |
| Cp,liquid | 237.56 | J/mol×K | 309.65 | Heat Ca... |
| Cp,liquid | 237.72 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 237.87 | J/mol×K | 312.65 | Heat Ca... |
| Cp,liquid | 236.70 | J/mol×K | 313.20 | Molar h... |
| Cp,liquid | 238.03 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 238.18 | J/mol×K | 315.65 | Heat Ca... |
| Cp,liquid | 238.34 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 237.30 | J/mol×K | 318.20 | Molar h... |
| Cp,liquid | 238.49 | J/mol×K | 318.65 | Heat Ca... |
| Cp,liquid | 238.65 | J/mol×K | 320.15 | Heat Ca... |
| Cp,liquid | 238.81 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 238.97 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 238.80 | J/mol×K | 323.20 | Molar h... |
| Cp,liquid | 239.13 | J/mol×K | 324.65 | Heat Ca... |
| Cp,liquid | 239.29 | J/mol×K | 326.15 | Heat Ca... |
| Cp,liquid | 239.46 | J/mol×K | 327.65 | Heat Ca... |
| Cp,liquid | 239.70 | J/mol×K | 328.20 | Molar h... |
| Cp,liquid | 239.63 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 239.80 | J/mol×K | 330.65 | Heat Ca... |
| Cp,liquid | 239.98 | J/mol×K | 332.15 | Heat Ca... |
| Cp,liquid | 241.00 | J/mol×K | 333.20 | Molar h... |
| Cp,liquid | 240.15 | J/mol×K | 333.65 | Heat Ca... |
| Cp,liquid | 240.34 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 240.52 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 240.71 | J/mol×K | 338.15 | Heat Ca... |
| Cp,liquid | 242.30 | J/mol×K | 338.20 | Molar h... |
| Cp,liquid | 240.91 | J/mol×K | 339.65 | Heat Ca... |
| Cp,liquid | 241.11 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 241.32 | J/mol×K | 342.65 | Heat Ca... |
| Cp,liquid | 243.50 | J/mol×K | 343.20 | Molar h... |
| Cp,liquid | 241.53 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 241.74 | J/mol×K | 345.65 | Heat Ca... |
| Cp,liquid | 241.97 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 244.40 | J/mol×K | 348.20 | Molar h... |
| Cp,liquid | 242.20 | J/mol×K | 348.65 | Heat Ca... |
| Cp,liquid | 242.43 | J/mol×K | 350.15 | Heat Ca... |
| Cp,liquid | 242.68 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 242.93 | J/mol×K | 353.15 | Heat Ca... |
| Cp,liquid | 246.50 | J/mol×K | 353.20 | Molar h... |
| ΔfusH | 28.06 | kJ/mol | 295.10 | NIST |
| Psub | [5.00e-04; 0.17] | kPa | [255.65; 298.15] |
|
|
T(K) Sublimation pressure (kPa) 0 0.05 0.1 0.15 260 270 280 290 | ||||
| Psub | 5.00e-04 | kPa | 255.65 | Thermod... |
| Psub | 5.00e-04 | kPa | 255.65 | Thermod... |
| Psub | 5.00e-04 | kPa | 255.65 | Thermod... |
| Psub | 7.70e-04 | kPa | 258.15 | Thermod... |
| Psub | 7.70e-04 | kPa | 258.15 | Thermod... |
| Psub | 7.70e-04 | kPa | 258.15 | Thermod... |
| Psub | 1.14e-03 | kPa | 260.65 | Thermod... |
| Psub | 1.16e-03 | kPa | 260.65 | Thermod... |
| Psub | 1.15e-03 | kPa | 260.65 | Thermod... |
| Psub | 1.68e-03 | kPa | 263.15 | Thermod... |
| Psub | 1.69e-03 | kPa | 263.15 | Thermod... |
| Psub | 1.69e-03 | kPa | 263.15 | Thermod... |
| Psub | 2.38e-03 | kPa | 265.65 | Thermod... |
| Psub | 2.35e-03 | kPa | 265.65 | Thermod... |
| Psub | 2.37e-03 | kPa | 265.65 | Thermod... |
| Psub | 3.48e-03 | kPa | 268.15 | Thermod... |
| Psub | 3.49e-03 | kPa | 268.15 | Thermod... |
| Psub | 3.49e-03 | kPa | 268.15 | Thermod... |
| Psub | 4.80e-03 | kPa | 270.65 | Thermod... |
| Psub | 4.78e-03 | kPa | 270.65 | Thermod... |
| Psub | 4.77e-03 | kPa | 270.65 | Thermod... |
| Psub | 6.85e-03 | kPa | 273.15 | Thermod... |
| Psub | 6.84e-03 | kPa | 273.15 | Thermod... |
| Psub | 6.83e-03 | kPa | 273.15 | Thermod... |
| Psub | 9.72e-03 | kPa | 275.65 | Thermod... |
| Psub | 9.76e-03 | kPa | 275.65 | Thermod... |
| Psub | 9.75e-03 | kPa | 275.65 | Thermod... |
| Psub | 0.01 | kPa | 278.15 | Thermod... |
| Psub | 0.01 | kPa | 278.15 | Thermod... |
| Psub | 0.01 | kPa | 278.15 | Thermod... |
| Psub | 0.02 | kPa | 280.65 | Thermod... |
| Psub | 0.02 | kPa | 280.65 | Thermod... |
| Psub | 0.02 | kPa | 280.65 | Thermod... |
| Psub | 0.03 | kPa | 283.15 | Thermod... |
| Psub | 0.03 | kPa | 283.15 | Thermod... |
| Psub | 0.03 | kPa | 283.15 | Thermod... |
| Psub | 0.05 | kPa | 288.15 | Thermod... |
| Psub | 0.05 | kPa | 288.15 | Thermod... |
| Psub | 0.05 | kPa | 288.15 | Thermod... |
| Psub | 0.07 | kPa | 290.65 | Thermod... |
| Psub | 0.07 | kPa | 290.65 | Thermod... |
| Psub | 0.09 | kPa | 293.15 | Thermod... |
| Psub | 0.09 | kPa | 293.15 | Thermod... |
| Psub | 0.09 | kPa | 293.15 | Thermod... |
| Psub | 0.13 | kPa | 295.65 | Thermod... |
| Psub | 0.13 | kPa | 295.65 | Thermod... |
| Psub | 0.13 | kPa | 295.65 | Thermod... |
| Psub | 0.17 | kPa | 298.15 | Thermod... |
| Psub | 0.17 | kPa | 298.15 | Thermod... |
| Psub | 0.17 | kPa | 298.15 | Thermod... |
| Pvap | [0.13; 3.81] | kPa | [284.92; 362.90] |
|
|
T(K) Vapor pressure (kPa) 0 0.5 1 1.5 2 2.5 3 3.5 4 300 320 340 360 | ||||
| Pvap | 0.13 | kPa | 284.92 | Phase e... |
| Pvap | 0.13 | kPa | 284.92 | Phase e... |
| Pvap | 0.13 | kPa | 284.92 | Phase e... |
| Pvap | 0.54 | kPa | 312.83 | Phase e... |
| Pvap | 1.28 | kPa | 332.86 | Phase e... |
| Pvap | 1.70 | kPa | 342.85 | Phase e... |
| Pvap | 2.69 | kPa | 352.87 | Phase e... |
| Pvap | 2.69 | kPa | 352.87 | Phase e... |
| Pvap | 3.81 | kPa | 362.86 | Phase e... |
| Pvap | 3.79 | kPa | 362.86 | Phase e... |
| Pvap | 3.80 | kPa | 362.86 | Phase e... |
| Pvap | 3.80 | kPa | 362.88 | Phase e... |
| Pvap | 3.81 | kPa | 362.90 | Phase e... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.24; 202.67] | kPa | [300.65; 456.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56618e+01 | |||
| Coefficient B | -4.09217e+03 | |||
| Coefficient C | -6.11490e+01 | |||
| Temperature range, min. | 300.65 | |||
| Temperature range, max. | 456.52 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 450 | ||||
| Pvap | 0.24 | kPa | 300.65 | Calculated Property |
| Pvap | 0.76 | kPa | 317.97 | Calculated Property |
| Pvap | 2.08 | kPa | 335.29 | Calculated Property |
| Pvap | 5.06 | kPa | 352.61 | Calculated Property |
| Pvap | 11.12 | kPa | 369.93 | Calculated Property |
| Pvap | 22.48 | kPa | 387.24 | Calculated Property |
| Pvap | 42.34 | kPa | 404.56 | Calculated Property |
| Pvap | 75.02 | kPa | 421.88 | Calculated Property |
| Pvap | 126.15 | kPa | 439.20 | Calculated Property |
| Pvap | 202.67 | kPa | 456.52 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediamine.
Mixtures
- 1,4-Butanediamine + Water
- Piperazine + 1,4-Butanediamine + Water
- 1,4-Butanediamine + N,N-Diethyl-2-aminoethanol + Water
- Nitrous oxide + 1,4-Butanediamine + Water
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
- Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
- Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
- Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
- Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
- Solubility of N2O in Density and Viscosity of Aqueous Solutions of 1,4-Butanediamine, 2-(Diethylamino)-ethanol, and Their Mixtures from (298.15 to 333.15) K
- Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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