- InChI
- InChI=1S/C21H24O4/c1-2-3-14-24-20(22)18-12-7-13-19(16-18)21(23)25-15-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,16H,2-3,8,11,14-15H2,1H3
- InChI Key
- XAIRZZVNJGSSNO-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)OCCCc2cc
ccc2)c1 - Molecular Weight1
- 340.41
- 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° | -126.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.433 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1606.42 | kPa | Joback Calculated Property |
| Inp | [2789.00; 2789.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Tboil | 890.80 | K | Joback Calculated Property |
| Tc | 1113.16 | K | Joback Calculated Property |
| Tfus | 536.11 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.31; 906.31] | J/mol×K | [890.80; 1113.16] |
|
| Cp,gas | 839.31 | J/mol×K | 890.80 | Joback Calculated Property |
| Cp,gas | 853.59 | J/mol×K | 927.86 | Joback Calculated Property |
| Cp,gas | 866.56 | J/mol×K | 964.92 | Joback Calculated Property |
| Cp,gas | 878.28 | J/mol×K | 1001.98 | Joback Calculated Property |
| Cp,gas | 888.78 | J/mol×K | 1039.04 | Joback Calculated Property |
| Cp,gas | 898.11 | J/mol×K | 1076.10 | Joback Calculated Property |
| Cp,gas | 906.31 | J/mol×K | 1113.16 | Joback Calculated Property |
| η | [0.0000489; 0.0004673] | Pa×s | [536.11; 890.80] |
|
| η | 0.0004673 | Pa×s | 536.11 | Joback Calculated Property |
| η | 0.0002661 | Pa×s | 595.23 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 654.34 | Joback Calculated Property |
| η | 0.0001142 | Pa×s | 713.45 | Joback Calculated Property |
| η | 0.0000824 | Pa×s | 772.57 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 831.68 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 890.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 3-phenylpropyl ester.
Sources
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