- InChI
- InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
- InChI Key
- FQUYSHZXSKYCSY-UHFFFAOYSA-N
- Formula
- C5H12N2
- SMILES
- C1CNCCNC1
- Molecular Weight1
- 100.16
- CAS
- 505-66-8
- Other Names
-
- 1,4-Diazacycloheptane
- 1H-1,4-Diazepine, hexahydro-
- Hexahydro-1,4-diazepine
- Trimethyleneethylenediamine
- perhydro-1,4-diazepine
- 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).
- Ip : 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 |
|---|---|---|---|
| ω | 0.3801 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.431 | Crippen Calculated Property | |
| McVol | 90.410 | ml/mol | McGowan Calculated Property |
| Pc | 5213.15 | kPa | Joback Calculated Property |
| Ip | 1525.00 | NIST | |
| Tboil | [442.20; 442.25] | K |
|
| Tboil | 442.20 | K | NIST |
| Tboil | 442.25 | K | NIST |
| Tc | 671.55 | K | Relay (1.0) Calculated Property |
| Tfus | 315.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.316 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [100.49; 319.92] | 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 | -4.44800e+01 | |||
| Coefficient B | 5.91000e-01 | |||
| Coefficient C | -2.17000e-04 | |||
| Coefficient D | -9.60000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 100.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 228.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 253.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 292.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 307.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 319.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.39; 202.67] | kPa | [314.65; 467.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55625e+01 | |||
| Coefficient B | -4.13804e+03 | |||
| Coefficient C | -6.40950e+01 | |||
| Temperature range, min. | 314.65 | |||
| Temperature range, max. | 467.77 | |||
| Pvap | 0.39 | kPa | 314.65 | Calculated Property |
| Pvap | 1.10 | kPa | 331.66 | Calculated Property |
| Pvap | 2.78 | kPa | 348.68 | Calculated Property |
| Pvap | 6.31 | kPa | 365.69 | Calculated Property |
| Pvap | 13.13 | kPa | 382.70 | Calculated Property |
| Pvap | 25.36 | kPa | 399.72 | Calculated Property |
| Pvap | 45.97 | kPa | 416.73 | Calculated Property |
| Pvap | 78.88 | kPa | 433.74 | Calculated Property |
| Pvap | 129.09 | kPa | 450.76 | Calculated Property |
| Pvap | 202.67 | kPa | 467.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Homopiperazine.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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