- InChI
- InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24-33-29(31)27-22-20-21-26(25-27)28(30)32-23-18-6-4-2/h4,20-22,25H,2-3,5-19,23-24H2,1H3
- InChI Key
- MTXJADGILKFDMU-UHFFFAOYSA-N
- Formula
- C29H46O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCCC
CCCCCCCCCCC)c1 - Molecular Weight1
- 458.67
- 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 | 1.2996 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -937.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.448 | Crippen Calculated Property | |
| McVol | 406.290 | ml/mol | McGowan Calculated Property |
| Pc | 792.60 | kPa | Joback Calculated Property |
| Inp | 3353.00 | NIST | |
| Tboil | 724.03 | K | Relay (1.0) Calculated Property |
| Tc | 902.84 | K | Relay (1.0) Calculated Property |
| Tfus | 300.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1402.41; 1486.58] | J/mol×K | [1043.84; 1285.02] | 
|
| Cp,gas | 1402.41 | J/mol×K | 1043.84 | Joback Calculated Property |
| Cp,gas | 1420.61 | J/mol×K | 1084.04 | Joback Calculated Property |
| Cp,gas | 1437.03 | J/mol×K | 1124.23 | Joback Calculated Property |
| Cp,gas | 1451.74 | J/mol×K | 1164.43 | Joback Calculated Property |
| Cp,gas | 1464.85 | J/mol×K | 1204.62 | Joback Calculated Property |
| Cp,gas | 1476.43 | J/mol×K | 1244.82 | Joback Calculated Property |
| Cp,gas | 1486.58 | J/mol×K | 1285.02 | Joback Calculated Property |
| η | [0.0000155; 0.0002173] | Pa×s | [598.09; 1043.84] |
|
| η | 0.0002173 | Pa×s | 598.09 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 672.38 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 746.67 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 820.97 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 895.26 | Joback Calculated Property |
| η | 0.0000204 | Pa×s | 969.55 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 1043.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexadecyl pent-4-enyl ester.
Sources
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