- InChI
- InChI=1S/C17H24O5/c1-3-4-5-6-10-21-16(18)14-8-7-9-15(13-14)17(19)22-12-11-20-2/h7-9,13H,3-6,10-12H2,1-2H3
- InChI Key
- BOPNIVKUAYXNKO-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCCOC)
c1 - Molecular Weight1
- 308.37
- 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° | -377.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -790.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.227 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | [2333.00; 2333.00] |
|
|
| Inp | 2333.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Tboil | 795.02 | K | Joback Calculated Property |
| Tc | 995.27 | K | Joback Calculated Property |
| Tfus | 486.84 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.69; 807.05] | J/mol×K | [795.02; 995.27] |
|
| Cp,gas | 732.69 | J/mol×K | 795.02 | Joback Calculated Property |
| Cp,gas | 747.70 | J/mol×K | 828.40 | Joback Calculated Property |
| Cp,gas | 761.66 | J/mol×K | 861.77 | Joback Calculated Property |
| Cp,gas | 774.58 | J/mol×K | 895.15 | Joback Calculated Property |
| Cp,gas | 786.44 | J/mol×K | 928.52 | Joback Calculated Property |
| Cp,gas | 797.27 | J/mol×K | 961.90 | Joback Calculated Property |
| Cp,gas | 807.05 | J/mol×K | 995.27 | Joback Calculated Property |
| η | [0.0000624; 0.0005581] | Pa×s | [486.84; 795.02] |
|
| η | 0.0005581 | Pa×s | 486.84 | Joback Calculated Property |
| η | 0.0003254 | Pa×s | 538.20 | Joback Calculated Property |
| η | 0.0002084 | Pa×s | 589.57 | Joback Calculated Property |
| η | 0.0001434 | Pa×s | 640.93 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 692.29 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 743.66 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 795.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 2-methoxyethyl ester.
Sources
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