- InChI
- InChI=1S/C22H26O5/c1-4-5-8-14-25-21(23)17-10-9-11-18(15-17)22(24)27-20-13-7-6-12-19(20)26-16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3
- InChI Key
- PLIMPCQANUOFNE-UHFFFAOYSA-N
- Formula
- C22H26O5
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2cccc
c2OC(C)C)c1 - Molecular Weight1
- 370.44
- 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° | -235.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.78 | kJ/mol | Joback Calculated Property |
| log10WS | -6.54 | Crippen Calculated Property | |
| logPoct/wat | 5.040 | Crippen Calculated Property | |
| McVol | 294.070 | ml/mol | McGowan Calculated Property |
| Pc | 1462.37 | kPa | Joback Calculated Property |
| Inp | [2788.00; 2788.00] |
|
|
| Inp | 2788.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Tboil | 940.64 | K | Joback Calculated Property |
| Tc | 1165.59 | K | Joback Calculated Property |
| Tfus | 567.13 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.67; 983.38] | J/mol×K | [940.64; 1165.59] |
|
| Cp,gas | 924.67 | J/mol×K | 940.64 | Joback Calculated Property |
| Cp,gas | 938.12 | J/mol×K | 978.13 | Joback Calculated Property |
| Cp,gas | 950.08 | J/mol×K | 1015.62 | Joback Calculated Property |
| Cp,gas | 960.56 | J/mol×K | 1053.12 | Joback Calculated Property |
| Cp,gas | 969.59 | J/mol×K | 1090.61 | Joback Calculated Property |
| Cp,gas | 977.19 | J/mol×K | 1128.10 | Joback Calculated Property |
| Cp,gas | 983.38 | J/mol×K | 1165.59 | Joback Calculated Property |
| η | [0.0000295; 0.0002854] | Pa×s | [567.13; 940.64] |
|
| η | 0.0002854 | Pa×s | 567.13 | Joback Calculated Property |
| η | 0.0001621 | Pa×s | 629.38 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 691.63 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 753.88 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 816.14 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 878.39 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 940.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-isopropoxyphenyl pentyl ester.
Sources
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