- InChI
- InChI=1S/C4H12N2/c1-4(6)2-3-5/h4H,2-3,5-6H2,1H3
- InChI Key
- RGTXVXDNHPWPHH-UHFFFAOYSA-N
- Formula
- C4H12N2
- SMILES
- CC(N)CCN
- Molecular Weight1
- 88.15
- CAS
- 590-88-5
- Other Names
-
- 1,3-Diaminobutane
- 1-methyltrimethylenediamine
- ω : Acentric Factor.
- 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 | 0.4687 | Relay (... Calculated Property | |
| ΔfG° | 113.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | 0.16 | Relay (... Calculated Property | |
| logPoct/wat | -0.318 | Crippen Calculated Property | |
| McVol | 87.180 | ml/mol | McGowan Calculated Property |
| Pc | 4565.38 | kPa | Joback Calculated Property |
| Tboil | 410.05 | K | Relay (... Calculated Property |
| Tc | 599.10 | K | Relay (... Calculated Property |
| Tfus | 228.47 | K | Relay (... Calculated Property |
| Vc | 0.303 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.16; 237.60] | J/mol×K | [435.54; 637.55] | 
|
| Cp,gas | 185.16 | J/mol×K | 435.54 | Joback Calculated Property |
| Cp,gas | 195.00 | J/mol×K | 469.21 | Joback Calculated Property |
| Cp,gas | 204.38 | J/mol×K | 502.88 | Joback Calculated Property |
| Cp,gas | 213.32 | J/mol×K | 536.55 | Joback Calculated Property |
| Cp,gas | 221.83 | J/mol×K | 570.22 | Joback Calculated Property |
| Cp,gas | 229.91 | J/mol×K | 603.88 | Joback Calculated Property |
| Cp,gas | 237.60 | J/mol×K | 637.55 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.69] | kPa | [317.32; 400.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.09137e+01 | |||
| Coefficient B | -5.35549e+03 | |||
| Coefficient C | -5.76740e+01 | |||
| Temperature range, min. | 317.32 | |||
| Temperature range, max. | 400.93 | |||
| Pvap | 1.33 | kPa | 317.32 | Calculated Property |
| Pvap | 2.72 | kPa | 326.61 | Calculated Property |
| Pvap | 5.29 | kPa | 335.90 | Calculated Property |
| Pvap | 9.84 | kPa | 345.19 | Calculated Property |
| Pvap | 17.64 | kPa | 354.48 | Calculated Property |
| Pvap | 30.50 | kPa | 363.77 | Calculated Property |
| Pvap | 51.06 | kPa | 373.06 | Calculated Property |
| Pvap | 83.00 | kPa | 382.35 | Calculated Property |
| Pvap | 131.32 | kPa | 391.64 | Calculated Property |
| Pvap | 202.69 | kPa | 400.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butanediamine.
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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