- InChI
- InChI=1S/C18H26O4/c1-12(2)10-14(5)22-18(20)16-8-6-15(7-9-16)17(19)21-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3
- InChI Key
- VXQUEYYKIACGRS-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CC(C)COC(=O)c1ccc(C(=O)OC(C)CC
(C)C)cc1 - Molecular Weight1
- 306.40
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -271.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.091 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1582.23 | kPa | Joback Calculated Property |
| Inp | 2081.00 | NIST | |
| Tboil | 794.16 | K | Joback Calculated Property |
| Tc | 1001.35 | K | Joback Calculated Property |
| Tfus | 430.88 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.86; 843.45] | J/mol×K | [794.16; 1001.35] | 
|
| Cp,gas | 762.86 | J/mol×K | 794.16 | Joback Calculated Property |
| Cp,gas | 779.12 | J/mol×K | 828.69 | Joback Calculated Property |
| Cp,gas | 794.22 | J/mol×K | 863.22 | Joback Calculated Property |
| Cp,gas | 808.19 | J/mol×K | 897.75 | Joback Calculated Property |
| Cp,gas | 821.04 | J/mol×K | 932.29 | Joback Calculated Property |
| Cp,gas | 832.78 | J/mol×K | 966.82 | Joback Calculated Property |
| Cp,gas | 843.45 | J/mol×K | 1001.35 | Joback Calculated Property |
| η | [0.0000559; 0.0011366] | Pa×s | [430.88; 794.16] |
|
| η | 0.0011366 | Pa×s | 430.88 | Joback Calculated Property |
| η | 0.0005049 | Pa×s | 491.43 | Joback Calculated Property |
| η | 0.0002680 | Pa×s | 551.97 | Joback Calculated Property |
| η | 0.0001612 | Pa×s | 612.52 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 673.07 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 733.61 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 794.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, isobutyl 4-methylpent-2-yl ester.
Sources
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