- InChI
- InChI=1S/C15H20O4/c1-4-18-14(16)12-6-5-7-13(10-12)15(17)19-9-8-11(2)3/h5-7,10-11H,4,8-9H2,1-3H3
- InChI Key
- UDEYUBCAWUESKC-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OCCC(C)C)c
1 - Molecular Weight1
- 264.32
- 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° | -292.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.066 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | [1922.00; 1922.00] |
|
|
| Inp | 1922.00 | NIST | |
| Inp | 1922.00 | NIST | |
| Tboil | 726.40 | K | Joback Calculated Property |
| Tc | 933.26 | K | Joback Calculated Property |
| Tfus | 427.07 | K | Joback Calculated Property |
| Vc | 0.809 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.17; 669.96] | J/mol×K | [726.40; 933.26] |
|
| Cp,gas | 594.17 | J/mol×K | 726.40 | Joback Calculated Property |
| Cp,gas | 609.21 | J/mol×K | 760.88 | Joback Calculated Property |
| Cp,gas | 623.26 | J/mol×K | 795.35 | Joback Calculated Property |
| Cp,gas | 636.36 | J/mol×K | 829.83 | Joback Calculated Property |
| Cp,gas | 648.50 | J/mol×K | 864.30 | Joback Calculated Property |
| Cp,gas | 659.69 | J/mol×K | 898.78 | Joback Calculated Property |
| Cp,gas | 669.96 | J/mol×K | 933.26 | Joback Calculated Property |
| η | [0.0000976; 0.0010677] | Pa×s | [427.07; 726.40] |
|
| η | 0.0010677 | Pa×s | 427.07 | Joback Calculated Property |
| η | 0.0005817 | Pa×s | 476.96 | Joback Calculated Property |
| η | 0.0003556 | Pa×s | 526.85 | Joback Calculated Property |
| η | 0.0002367 | Pa×s | 576.74 | Joback Calculated Property |
| η | 0.0001681 | Pa×s | 626.62 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 676.51 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 726.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 3-methylbutyl ester.
Sources
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