- InChI
- InChI=1S/C25H40O4/c1-4-6-7-8-9-10-11-12-13-18-28-24(26)22-15-14-16-23(20-22)25(27)29-19-17-21(3)5-2/h14-16,20-21H,4-13,17-19H2,1-3H3
- InChI Key
- XJORNCDLGUHPDO-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
CCC(C)CC)c1 - Molecular Weight1
- 404.58
- 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 | 1.1505 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -956.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.967 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 975.34 | kPa | Joback Calculated Property |
| Inp | [2937.00; 2937.00] |
|
|
| Inp | 2937.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Tboil | 670.98 | K | Relay (1.0) Calculated Property |
| Tc | 871.90 | K | Relay (1.0) Calculated Property |
| Tfus | 277.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.324 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1181.72; 1264.15] | J/mol×K | [955.20; 1169.50] |
|
| Cp,gas | 1181.72 | J/mol×K | 955.20 | Joback Calculated Property |
| Cp,gas | 1198.96 | J/mol×K | 990.92 | Joback Calculated Property |
| Cp,gas | 1214.75 | J/mol×K | 1026.63 | Joback Calculated Property |
| Cp,gas | 1229.11 | J/mol×K | 1062.35 | Joback Calculated Property |
| Cp,gas | 1242.11 | J/mol×K | 1098.07 | Joback Calculated Property |
| Cp,gas | 1253.77 | J/mol×K | 1133.79 | Joback Calculated Property |
| Cp,gas | 1264.15 | J/mol×K | 1169.50 | Joback Calculated Property |
| η | [0.0000242; 0.0003804] | Pa×s | [539.77; 955.20] |
|
| η | 0.0003804 | Pa×s | 539.77 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 609.01 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 678.25 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 747.48 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 816.72 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 885.96 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 955.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-methylpentyl undecyl ester.
Sources
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