![3,3',3'',3''',3'''',3'''''-[(Cyclohexane-1,2,3,4,5,6-hexayl)hexaoxy]hexapropionitrile](/cid/72-349-5/3-3-3-3-3-3-Cyclohexane-1-2-3-4-5-6-hexayl-hexaoxy-hexapropionitrile.png "3,3',3'',3''',3'''',3'''''-[(Cyclohexane-1,2,3,4,5,6-hexayl)hexaoxy]hexapropionitrile")
- InChI
- InChI=1S/C24H30N6O6/c25-7-1-13-31-19-20(32-14-2-8-26)22(34-16-4-10-28)24(36-18-6-12-30)23(35-17-5-11-29)21(19)33-15-3-9-27/h19-24H,1-6,13-18H2
- InChI Key
- LMHMIJYIOJVNMJ-UHFFFAOYSA-N
- Formula
- C24H30N6O6
- SMILES
-
N#CCCOC1C(OCCC#N)C(OCCC#N)C(OC
CC#N)C(OCCC#N)C1OCCC#N - Molecular Weight1
- 498.53
- 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).
- 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 | 1.2652 | Relay (1.0) Calculated Property | |
| ΔfG° | 306.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.793 | Crippen Calculated Property | |
| McVol | 381.660 | ml/mol | McGowan Calculated Property |
| Pc | 717.22 | kPa | Joback Calculated Property |
| Tboil | 782.23 | K | Relay (1.0) Calculated Property |
| Tc | 1077.01 | K | Relay (1.0) Calculated Property |
| Tfus | 369.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.314 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.60; 1179.74] | J/mol×K | [1491.72; 1936.81] | 
|
| Cp,gas | 1179.74 | J/mol×K | 1491.72 | Joback Calculated Property |
| Cp,gas | 1121.87 | J/mol×K | 1565.90 | Joback Calculated Property |
| Cp,gas | 1049.88 | J/mol×K | 1640.08 | Joback Calculated Property |
| Cp,gas | 963.20 | J/mol×K | 1714.27 | Joback Calculated Property |
| Cp,gas | 861.29 | J/mol×K | 1788.45 | Joback Calculated Property |
| Cp,gas | 743.61 | J/mol×K | 1862.63 | Joback Calculated Property |
| Cp,gas | 609.60 | J/mol×K | 1936.81 | Joback Calculated Property |
Similar Compounds
Sources
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