![Bis[4-(1,1-dimethylhexyl)phenyl] isophthalate](/cid/58-611-9/Bis-4-1-1-dimethylhexyl-phenyl-isophthalate.png "Bis[4-(1,1-dimethylhexyl)phenyl] isophthalate")
- InChI
- InChI=1S/C36H46O4/c1-7-9-11-24-35(3,4)29-16-20-31(21-17-29)39-33(37)27-14-13-15-28(26-27)34(38)40-32-22-18-30(19-23-32)36(5,6)25-12-10-8-2/h13-23,26H,7-12,24-25H2,1-6H3
- InChI Key
- IXLRPTGKJNYECR-UHFFFAOYSA-N
- Formula
- C36H46O4
- SMILES
-
CCCCCC(C)(C)c1ccc(OC(=O)c2cccc
(C(=O)Oc3ccc(C(C)(C)CCCCC)cc3) c2)cc1 - Molecular Weight1
- 542.75
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.2844 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.841 | Crippen Calculated Property | |
| McVol | 461.700 | ml/mol | McGowan Calculated Property |
| Pc | 773.32 | kPa | Joback Calculated Property |
| Tboil | 772.80 | K | Relay (1.0) Calculated Property |
| Tc | 1071.41 | K | Relay (1.0) Calculated Property |
| Tfus | 380.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.688 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1643.74; 1728.73] | J/mol×K | [1264.18; 1554.68] | 
|
| Cp,gas | 1643.74 | J/mol×K | 1264.18 | Joback Calculated Property |
| Cp,gas | 1659.24 | J/mol×K | 1312.60 | Joback Calculated Property |
| Cp,gas | 1673.81 | J/mol×K | 1361.01 | Joback Calculated Property |
| Cp,gas | 1687.75 | J/mol×K | 1409.43 | Joback Calculated Property |
| Cp,gas | 1701.35 | J/mol×K | 1457.85 | Joback Calculated Property |
| Cp,gas | 1714.91 | J/mol×K | 1506.26 | Joback Calculated Property |
| Cp,gas | 1728.73 | J/mol×K | 1554.68 | Joback Calculated Property |
| η | [0.0000028; 0.0000360] | Pa×s | [761.46; 1264.18] |
|
| η | 0.0000360 | Pa×s | 761.46 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 845.25 | Joback Calculated Property |
| η | 0.0000114 | Pa×s | 929.03 | Joback Calculated Property |
| η | 0.0000074 | Pa×s | 1012.82 | Joback Calculated Property |
| η | 0.0000051 | Pa×s | 1096.61 | Joback Calculated Property |
| η | 0.0000037 | Pa×s | 1180.39 | Joback Calculated Property |
| η | 0.0000028 | Pa×s | 1264.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bis[4-(1,1-dimethylhexyl)phenyl] isophthalate.
Sources
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