- InChI
- InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-12-13-14-18-29-25(27)23-16-15-17-24(20-23)26(28)30-22(4)19-21(2)3/h15-17,20-22H,5-14,18-19H2,1-4H3
- InChI Key
- XPHARKGMSUBWIU-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OC(C)CC(C)C)c1 - Molecular Weight1
- 418.61
- 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).
- Inp : Non-polar retention indices.
- 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 | 1.1514 | Relay (... Calculated Property | |
| ΔfG° | -201.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 55.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.55 | kJ/mol | Relay (... Calculated Property |
| IE | 9.24 | eV | Relay (... Calculated Property |
| log10WS | -7.29 | Relay (... Calculated Property | |
| logPoct/wat | 7.356 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 923.86 | kPa | Joback Calculated Property |
| Inp | 2899.00 | NIST | |
| Tboil | 669.44 | K | Relay (... Calculated Property |
| Tc | 869.86 | K | Relay (... Calculated Property |
| Tfus | 290.23 | K | Relay (... Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1244.40; 1326.50] | J/mol×K | [977.64; 1196.94] | 
|
| Cp,gas | 1244.40 | J/mol×K | 977.64 | Joback Calculated Property |
| Cp,gas | 1261.82 | J/mol×K | 1014.19 | Joback Calculated Property |
| Cp,gas | 1277.68 | J/mol×K | 1050.74 | Joback Calculated Property |
| Cp,gas | 1292.02 | J/mol×K | 1087.29 | Joback Calculated Property |
| Cp,gas | 1304.91 | J/mol×K | 1123.84 | Joback Calculated Property |
| Cp,gas | 1316.39 | J/mol×K | 1160.39 | Joback Calculated Property |
| Cp,gas | 1326.50 | J/mol×K | 1196.94 | Joback Calculated Property |
| η | [0.0000189; 0.0003771] | Pa×s | [536.04; 977.64] |
|
| η | 0.0003771 | Pa×s | 536.04 | Joback Calculated Property |
| η | 0.0001694 | Pa×s | 609.64 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 683.24 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 756.84 | Joback Calculated Property |
| η | 0.0000360 | Pa×s | 830.44 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 904.04 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 977.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl 4-methylpent-2-yl ester.
Sources
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