- InChI
- InChI=1S/C20H22O4/c1-4-5-11-23-19(21)16-7-6-8-17(13-16)20(22)24-18-10-9-14(2)15(3)12-18/h6-10,12-13H,4-5,11H2,1-3H3
- InChI Key
- BRYHDMJXCUDFTJ-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2ccc(C
)c(C)c2)c1 - Molecular Weight1
- 326.39
- 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° | -154.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 4.480 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1694.90 | kPa | Joback Calculated Property |
| Inp | [2686.00; 2686.00] |
|
|
| Inp | 2686.00 | NIST | |
| Inp | 2686.00 | NIST | |
| Tboil | 877.88 | K | Joback Calculated Property |
| Tc | 1103.17 | K | Joback Calculated Property |
| Tfus | 549.88 | K | Joback Calculated Property |
| Vc | 0.988 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.21; 844.23] | J/mol×K | [877.88; 1103.17] |
|
| Cp,gas | 779.21 | J/mol×K | 877.88 | Joback Calculated Property |
| Cp,gas | 793.20 | J/mol×K | 915.43 | Joback Calculated Property |
| Cp,gas | 805.90 | J/mol×K | 952.98 | Joback Calculated Property |
| Cp,gas | 817.33 | J/mol×K | 990.52 | Joback Calculated Property |
| Cp,gas | 827.51 | J/mol×K | 1028.07 | Joback Calculated Property |
| Cp,gas | 836.47 | J/mol×K | 1065.62 | Joback Calculated Property |
| Cp,gas | 844.23 | J/mol×K | 1103.17 | Joback Calculated Property |
| η | [0.0000580; 0.0004003] | Pa×s | [549.88; 877.88] |
|
| η | 0.0004003 | Pa×s | 549.88 | Joback Calculated Property |
| η | 0.0002508 | Pa×s | 604.55 | Joback Calculated Property |
| η | 0.0001698 | Pa×s | 659.21 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 713.88 | Joback Calculated Property |
| η | 0.0000919 | Pa×s | 768.55 | Joback Calculated Property |
| η | 0.0000719 | Pa×s | 823.21 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 877.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 3,4-dimethylphenyl ester.
Sources
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