- InChI
- InChI=1S/C17H22O4/c1-3-20-16(18)13-8-6-9-14(11-13)17(19)21-15-10-5-4-7-12(15)2/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3
- InChI Key
- KXZMUFYBAJVJCQ-UHFFFAOYSA-N
- Formula
- C17H22O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OC2CCCCC2C
)c1 - Molecular Weight1
- 290.35
- 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° | -256.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 3.599 | Crippen Calculated Property | |
| McVol | 230.650 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | [2232.00; 2232.00] |
|
|
| Inp | 2232.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Tboil | 787.48 | K | Joback Calculated Property |
| Tc | 1013.74 | K | Joback Calculated Property |
| Tfus | 467.75 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [702.00; 785.16] | J/mol×K | [787.48; 1013.74] |
|
| Cp,gas | 702.00 | J/mol×K | 787.48 | Joback Calculated Property |
| Cp,gas | 719.50 | J/mol×K | 825.19 | Joback Calculated Property |
| Cp,gas | 735.53 | J/mol×K | 862.90 | Joback Calculated Property |
| Cp,gas | 750.09 | J/mol×K | 900.61 | Joback Calculated Property |
| Cp,gas | 763.21 | J/mol×K | 938.32 | Joback Calculated Property |
| Cp,gas | 774.89 | J/mol×K | 976.03 | Joback Calculated Property |
| Cp,gas | 785.16 | J/mol×K | 1013.74 | Joback Calculated Property |
| η | [0.0001083; 0.0009535] | Pa×s | [467.75; 787.48] |
|
| η | 0.0009535 | Pa×s | 467.75 | Joback Calculated Property |
| η | 0.0005512 | Pa×s | 521.04 | Joback Calculated Property |
| η | 0.0003528 | Pa×s | 574.33 | Joback Calculated Property |
| η | 0.0002435 | Pa×s | 627.62 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 680.90 | Joback Calculated Property |
| η | 0.0001364 | Pa×s | 734.19 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 787.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 2-methylcyclohexyl ester.
Sources
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