- InChI
- InChI=1S/C30H34O4/c1-19-17-21(29(3,4)5)13-15-25(19)33-27(31)23-11-9-10-12-24(23)28(32)34-26-16-14-22(18-20(26)2)30(6,7)8/h9-18H,1-8H3
- InChI Key
- JIQXNNGUGZEDSN-UHFFFAOYSA-N
- Formula
- C30H34O4
- SMILES
-
Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc
cc1C(=O)Oc1ccc(C(C)(C)C)cc1C - Molecular Weight1
- 458.59
- CAS
- 116595-13-2
- 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 | 1.0282 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -621.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.337 | Crippen Calculated Property | |
| McVol | 377.160 | ml/mol | McGowan Calculated Property |
| Pc | 1074.98 | kPa | Joback Calculated Property |
| Tboil | 713.08 | K | Relay (1.0) Calculated Property |
| Tc | 1045.26 | K | Relay (1.0) Calculated Property |
| Tfus | 384.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.395 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1264.25; 1323.88] | J/mol×K | [1136.86; 1396.16] | 
|
| Cp,gas | 1264.25 | J/mol×K | 1136.86 | Joback Calculated Property |
| Cp,gas | 1276.85 | J/mol×K | 1180.08 | Joback Calculated Property |
| Cp,gas | 1288.18 | J/mol×K | 1223.29 | Joback Calculated Property |
| Cp,gas | 1298.40 | J/mol×K | 1266.51 | Joback Calculated Property |
| Cp,gas | 1307.65 | J/mol×K | 1309.73 | Joback Calculated Property |
| Cp,gas | 1316.10 | J/mol×K | 1352.94 | Joback Calculated Property |
| Cp,gas | 1323.88 | J/mol×K | 1396.16 | Joback Calculated Property |
| η | [0.0000082; 0.0000698] | Pa×s | [718.88; 1136.86] |
|
| η | 0.0000698 | Pa×s | 718.88 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 788.54 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 858.21 | Joback Calculated Property |
| η | 0.0000187 | Pa×s | 927.87 | Joback Calculated Property |
| η | 0.0000137 | Pa×s | 997.53 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 1067.20 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 1136.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bis(4-tert-butyl-2-methylphenyl) phthalate.
Sources
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