- InChI
- InChI=1S/C27H44O4/c1-4-6-7-8-9-10-11-12-13-14-15-20-30-26(28)24-17-16-18-25(22-24)27(29)31-21-19-23(3)5-2/h16-18,22-23H,4-15,19-21H2,1-3H3
- InChI Key
- LICVZBOQMROGGL-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1cccc(C(=O
)OCCC(C)CC)c1 - Molecular Weight1
- 432.64
- 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 | 1.2223 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -998.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.747 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 868.11 | kPa | Joback Calculated Property |
| Inp | 3138.00 | NIST | |
| Tboil | 684.53 | K | Relay (1.0) Calculated Property |
| Tc | 885.43 | K | Relay (1.0) Calculated Property |
| Tfus | 282.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1306.77; 1389.70] | J/mol×K | [1000.96; 1226.87] | 
|
| Cp,gas | 1306.77 | J/mol×K | 1000.96 | Joback Calculated Property |
| Cp,gas | 1324.54 | J/mol×K | 1038.61 | Joback Calculated Property |
| Cp,gas | 1340.65 | J/mol×K | 1076.26 | Joback Calculated Property |
| Cp,gas | 1355.17 | J/mol×K | 1113.92 | Joback Calculated Property |
| Cp,gas | 1368.14 | J/mol×K | 1151.57 | Joback Calculated Property |
| Cp,gas | 1379.63 | J/mol×K | 1189.22 | Joback Calculated Property |
| Cp,gas | 1389.70 | J/mol×K | 1226.87 | Joback Calculated Property |
| η | [0.0000178; 0.0002962] | Pa×s | [562.31; 1000.96] |
|
| η | 0.0002962 | Pa×s | 562.31 | Joback Calculated Property |
| η | 0.0001415 | Pa×s | 635.42 | Joback Calculated Property |
| η | 0.0000788 | Pa×s | 708.53 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 781.63 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 854.74 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 927.85 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 1000.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-methylpentyl tridecyl ester.
Sources
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