![1H-Pyrrole, 3-ethyl-5-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-](/cid/31-790-0/1H-Pyrrole-3-ethyl-5-4-ethyl-3-5-dimethyl-2H-pyrrol-2-ylidene-methyl-2-4-dimethyl.png "1H-Pyrrole, 3-ethyl-5-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-")
- InChI
- InChI=1S/C17H24N2/c1-7-14-10(3)16(18-12(14)5)9-17-11(4)15(8-2)13(6)19-17/h9,18H,7-8H2,1-6H3/b17-9+
- InChI Key
- QSPGBUOFJNDGBP-RQZCQDPDSA-N
- Formula
- C17H24N2
- SMILES
-
CCC1=C(C)C(=Cc2[nH]c(C)c(CC)c2
C)N=C1C - Molecular Weight1
- 256.39
- CAS
- 2407-83-2
- Other Names
-
- Pyrrole, 3-ethyl-5-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-
- 2,2'-Dipyrromethene, 4,4'-diethyl-3,3',5,5'-tetramethyl-
- 3,5,3',5'-Tetramethyl-4,4'-diethyldipyrrylmethene
- 2H-Pyrrole, 4-ethyl-2-(4-ethyl-3,5-dimethyl-2-pyrrolylmethylene)-3,5-dimethyl-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation 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).
- 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 | 0.5896 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -10092.00 ± 10.00 | kJ/mol | NIST |
| ΔfG° | 283.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 73.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -27.00 ± 10.00 | kJ/mol | NIST |
| ΔvapH° | 89.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.254 | Crippen Calculated Property | |
| McVol | 227.130 | ml/mol | McGowan Calculated Property |
| Pc | 1777.77 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 590.66 | K | Relay (1.0) Calculated Property |
| Tc | 857.59 | K | Relay (1.0) Calculated Property |
| Tfus | 436.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.819 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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
- McGowan Method
- NIST Webbook
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