- InChI
- InChI=1S/C32H38N4/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25/h13-16,33,36H,9-12H2,1-8H3/b25-14-,26-13-,27-16-,28-15-,29-13-,30-14-,31-15-,32-16-
- InChI Key
- VIXIHEJFGRACDI-GCISPZHASA-N
- Formula
- C32H38N4
- SMILES
-
CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[
nH]c(cc1n2)c(C)c5CC)C(C)=C4CC) c(C)c3CC - Molecular Weight1
- 478.67
- CAS
- 448-71-5
- Other Names
-
- Etioporphyrin
- 21H,23H-Porphine, 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-
- 3,8,13,18-Tetraethyl-2,7,12,17-tetramethyl-21H,23H-porphine
- Mesoetioporphyrin
- 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).
- 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 | 1.0230 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -17998.00 ± 18.00 | kJ/mol | NIST |
| ΔfG° | 516.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 186.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 180.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.30 | eV | NIST |
| log10WS | -9.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.774 | Crippen Calculated Property | |
| McVol | 400.060 | ml/mol | McGowan Calculated Property |
| Pc | 468.30 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 824.21 | K | Relay (1.0) Calculated Property |
| Tc | 1264.36 | K | Relay (1.0) Calculated Property |
| Tfus | 629.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.471 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-21H,23H-porphin.
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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