- InChI
- InChI=1S/C18H24O4/c1-3-11-21-17(19)14-8-6-9-15(12-14)18(20)22-16-10-5-4-7-13(16)2/h6,8-9,12-13,16H,3-5,7,10-11H2,1-2H3
- InChI Key
- ZVNYDPRPVKVKDG-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OC2CCCCC2
C)c1 - Molecular Weight1
- 304.38
- 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° | -247.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 3.989 | Crippen Calculated Property | |
| McVol | 244.740 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | [2340.00; 2340.00] |
|
|
| Inp | 2340.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Tboil | 810.36 | K | Joback Calculated Property |
| Tc | 1033.61 | K | Joback Calculated Property |
| Tfus | 479.02 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.48; 842.31] | J/mol×K | [810.36; 1033.61] |
|
| Cp,gas | 759.48 | J/mol×K | 810.36 | Joback Calculated Property |
| Cp,gas | 776.97 | J/mol×K | 847.57 | Joback Calculated Property |
| Cp,gas | 792.95 | J/mol×K | 884.78 | Joback Calculated Property |
| Cp,gas | 807.47 | J/mol×K | 921.99 | Joback Calculated Property |
| Cp,gas | 820.52 | J/mol×K | 959.19 | Joback Calculated Property |
| Cp,gas | 832.13 | J/mol×K | 996.40 | Joback Calculated Property |
| Cp,gas | 842.31 | J/mol×K | 1033.61 | Joback Calculated Property |
| η | [0.0000955; 0.0008791] | Pa×s | [479.02; 810.36] |
|
| η | 0.0008791 | Pa×s | 479.02 | Joback Calculated Property |
| η | 0.0005015 | Pa×s | 534.24 | Joback Calculated Property |
| η | 0.0003179 | Pa×s | 589.47 | Joback Calculated Property |
| η | 0.0002178 | Pa×s | 644.69 | Joback Calculated Property |
| η | 0.0001584 | Pa×s | 699.91 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 755.14 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 810.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-methylcyclohexyl propyl ester.
Sources
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