- InChI
- InChI=1S/C22H30O4/c23-21(25-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)22(24)26-16-18-10-5-2-6-11-18/h7,12-14,17-18H,1-6,8-11,15-16H2
- InChI Key
- BIMUWGJXLYCZOP-UHFFFAOYSA-N
- Formula
- C22H30O4
- SMILES
-
O=C(OCC1CCCCC1)c1cccc(C(=O)OCC
2CCCCC2)c1 - Molecular Weight1
- 358.47
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8438 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.161 | Crippen Calculated Property | |
| McVol | 290.240 | ml/mol | McGowan Calculated Property |
| Pc | 1584.75 | kPa | Joback Calculated Property |
| Inp | [3014.00; 3014.00] |
|
|
| Inp | 3014.00 | NIST | |
| Inp | 3014.00 | NIST | |
| Tboil | 711.51 | K | Relay (1.0) Calculated Property |
| Tc | 937.45 | K | Relay (1.0) Calculated Property |
| Tfus | 333.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.066 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [987.52; 1062.41] | J/mol×K | [926.10; 1165.62] |
|
| Cp,gas | 987.52 | J/mol×K | 926.10 | Joback Calculated Property |
| Cp,gas | 1004.81 | J/mol×K | 966.02 | Joback Calculated Property |
| Cp,gas | 1020.10 | J/mol×K | 1005.94 | Joback Calculated Property |
| Cp,gas | 1033.46 | J/mol×K | 1045.86 | Joback Calculated Property |
| Cp,gas | 1044.92 | J/mol×K | 1085.78 | Joback Calculated Property |
| Cp,gas | 1054.56 | J/mol×K | 1125.70 | Joback Calculated Property |
| Cp,gas | 1062.41 | J/mol×K | 1165.62 | Joback Calculated Property |
| η | [0.0000438; 0.0006111] | Pa×s | [535.72; 926.10] |
|
| η | 0.0006111 | Pa×s | 535.72 | Joback Calculated Property |
| η | 0.0003105 | Pa×s | 600.78 | Joback Calculated Property |
| η | 0.0001801 | Pa×s | 665.85 | Joback Calculated Property |
| η | 0.0001151 | Pa×s | 730.91 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 795.97 | Joback Calculated Property |
| η | 0.0000576 | Pa×s | 861.04 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 926.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dicyclohexylmethyl ester.
Sources
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