- InChI
- InChI=1S/C32H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-35-31(33)28-24-21-25-29(27-28)32(34)36-30(22-5-2)23-6-3/h21,24-25,27,30H,4-20,22-23,26H2,1-3H3
- InChI Key
- XTFDLYNRLRYKEF-UHFFFAOYSA-N
- Formula
- C32H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1cccc(
C(=O)OC(CCC)CCC)c1 - Molecular Weight1
- 502.77
- 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 | 1.3942 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1091.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.840 | Crippen Calculated Property | |
| McVol | 452.860 | ml/mol | McGowan Calculated Property |
| Pc | 666.32 | kPa | Joback Calculated Property |
| Inp | [3510.00; 3510.00] |
|
|
| Inp | 3510.00 | NIST | |
| Inp | 3510.00 | NIST | |
| Tboil | 712.95 | K | Relay (1.0) Calculated Property |
| Tc | 910.60 | K | Relay (1.0) Calculated Property |
| Tfus | 288.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.709 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1625.12; 1708.67] | J/mol×K | [1115.36; 1392.23] |
|
| Cp,gas | 1625.12 | J/mol×K | 1115.36 | Joback Calculated Property |
| Cp,gas | 1644.77 | J/mol×K | 1161.51 | Joback Calculated Property |
| Cp,gas | 1661.93 | J/mol×K | 1207.65 | Joback Calculated Property |
| Cp,gas | 1676.76 | J/mol×K | 1253.80 | Joback Calculated Property |
| Cp,gas | 1689.40 | J/mol×K | 1299.94 | Joback Calculated Property |
| Cp,gas | 1699.99 | J/mol×K | 1346.09 | Joback Calculated Property |
| Cp,gas | 1708.67 | J/mol×K | 1392.23 | Joback Calculated Property |
| η | [0.0000081; 0.0001518] | Pa×s | [618.66; 1115.36] |
|
| η | 0.0001518 | Pa×s | 618.66 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 701.44 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 784.23 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 867.01 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 949.79 | Joback Calculated Property |
| η | 0.0000108 | Pa×s | 1032.58 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 1115.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptadecyl 1-propylbutyl ester.
Sources
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