- InChI
- InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
- InChI Key
- OPCJOXGBLDJWRM-UHFFFAOYSA-N
- Formula
- C4H12N2
- SMILES
- CC(C)(N)CN
- Molecular Weight1
- 88.15
- CAS
- 811-93-8
- Other Names
-
- 1,2-Diamino-2-methylpropane
- 1,2-Propanediamine, 2-methyl-
- 2,2-dimethylethylenediamine
- 2-methyl-1,2-diaminopropane
- 2-methylpropylenediamine
- Methyl-2 propanediamine-1,2
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -3155.10 ± 0.59 | kJ/mol | NIST |
| ΔfG° | 118.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.25 ± 0.71 | kJ/mol | NIST |
| ΔfH°liquid | -134.00 ± 0.67 | kJ/mol | NIST |
| ΔfusH° | 9.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.50; 43.80] | kJ/mol |
|
| ΔvapH° | 43.60 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 43.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 43.60 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 43.80 | kJ/mol | NIST |
| log10WS | -0.48 | Crippen Calculated Property | |
| logPoct/wat | -0.318 | Crippen Calculated Property | |
| McVol | 87.180 | ml/mol | McGowan Calculated Property |
| Pc | 4634.00 | kPa | Joback Calculated Property |
| S°liquid | 259.53 | J/mol×K | NIST |
| Tboil | 432.75 | K | Joback Calculated Property |
| Tc | 643.66 | K | Joback Calculated Property |
| Tfus | 303.78 | K | Joback Calculated Property |
| Ttriple | 256.10 ± 0.20 | K | NIST |
| Vc | 0.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.72; 242.80] | J/mol×K | [432.75; 643.66] |
|
| Cp,gas | 187.72 | J/mol×K | 432.75 | Joback Calculated Property |
| Cp,gas | 198.45 | J/mol×K | 467.90 | Joback Calculated Property |
| Cp,gas | 208.52 | J/mol×K | 503.05 | Joback Calculated Property |
| Cp,gas | 217.95 | J/mol×K | 538.20 | Joback Calculated Property |
| Cp,gas | 226.79 | J/mol×K | 573.35 | Joback Calculated Property |
| Cp,gas | 235.06 | J/mol×K | 608.51 | Joback Calculated Property |
| Cp,gas | 242.80 | J/mol×K | 643.66 | Joback Calculated Property |
| Cp,liquid | 234.56 | J/mol×K | 298.15 | NIST |
| ΔfusH | [2.23; 15.46] | kJ/mol | [237.50; 256.10] |
|
| ΔfusH | 15.46 | kJ/mol | 237.50 | NIST |
| ΔfusH | 2.23 | kJ/mol | 256.10 | NIST |
| ΔfusH | 2.23 | kJ/mol | 256.10 | NIST |
| ΔvapH | 47.20 | kJ/mol | 274.50 | NIST |
| Pvap | [0.29; 2.62] | kPa | [276.00; 308.70] |
|
| Pvap | 0.29 | kPa | 276.00 | Benchma... |
| Pvap | 0.30 | kPa | 276.60 | Benchma... |
| Pvap | 0.33 | kPa | 277.60 | Benchma... |
| Pvap | 0.34 | kPa | 278.10 | Benchma... |
| Pvap | 0.37 | kPa | 279.30 | Benchma... |
| Pvap | 0.41 | kPa | 280.60 | Benchma... |
| Pvap | 0.46 | kPa | 282.40 | Benchma... |
| Pvap | 0.48 | kPa | 282.40 | Benchma... |
| Pvap | 0.49 | kPa | 283.20 | Benchma... |
| Pvap | 0.53 | kPa | 284.50 | Benchma... |
| Pvap | 0.55 | kPa | 284.50 | Benchma... |
| Pvap | 0.59 | kPa | 286.00 | Benchma... |
| Pvap | 0.71 | kPa | 288.40 | Benchma... |
| Pvap | 0.80 | kPa | 290.40 | Benchma... |
| Pvap | 0.92 | kPa | 292.50 | Benchma... |
| Pvap | 1.05 | kPa | 294.30 | Benchma... |
| Pvap | 1.14 | kPa | 295.90 | Benchma... |
| Pvap | 1.30 | kPa | 297.20 | Benchma... |
| Pvap | 1.42 | kPa | 299.00 | Benchma... |
| Pvap | 1.57 | kPa | 300.30 | Benchma... |
| Pvap | 1.75 | kPa | 302.00 | Benchma... |
| Pvap | 2.04 | kPa | 304.60 | Benchma... |
| Pvap | 2.25 | kPa | 306.10 | Benchma... |
| Pvap | 2.45 | kPa | 307.60 | Benchma... |
| Pvap | 2.62 | kPa | 308.70 | Benchma... |
| ΔfusS | [8.71; 65.11] | J/mol×K | [237.50; 256.10] |
|
| ΔfusS | 65.11 | J/mol×K | 237.50 | NIST |
| ΔfusS | 8.71 | J/mol×K | 256.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [298.92; 406.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.68884e+01 | |||
| Coefficient B | -4.11103e+03 | |||
| Coefficient C | -5.12800e+01 | |||
| Temperature range, min. | 298.92 | |||
| Temperature range, max. | 406.39 | |||
| Pvap | 1.33 | kPa | 298.92 | Calculated Property |
| Pvap | 2.86 | kPa | 310.86 | Calculated Property |
| Pvap | 5.74 | kPa | 322.80 | Calculated Property |
| Pvap | 10.87 | kPa | 334.74 | Calculated Property |
| Pvap | 19.53 | kPa | 346.68 | Calculated Property |
| Pvap | 33.53 | kPa | 358.63 | Calculated Property |
| Pvap | 55.30 | kPa | 370.57 | Calculated Property |
| Pvap | 87.96 | kPa | 382.51 | Calculated Property |
| Pvap | 135.48 | kPa | 394.45 | Calculated Property |
| Pvap | 202.68 | kPa | 406.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1,2-propanediamine.
Sources
- Crippen Method
- Crippen Method
- Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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