- InChI
- InChI=1S/C29H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-24-33-29(31)27-22-20-21-26(25-27)28(30)32-23-18-8-6-4-2/h6,8,20-22,25H,3-5,7,9-19,23-24H2,1-2H3/b8-6-
- InChI Key
- YEISEMYWYSWCAK-VURMDHGXSA-N
- Formula
- C29H46O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
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 | 1.2590 | Relay (... Calculated Property | |
| ΔfG° | -91.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 70.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.38 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -8.23 | Relay (... Calculated Property | |
| logPoct/wat | 8.448 | Crippen Calculated Property | |
| McVol | 406.290 | ml/mol | McGowan Calculated Property |
| Pc | 797.08 | kPa | Joback Calculated Property |
| Inp | 3351.00 | NIST | |
| Tboil | 702.28 | K | Relay (... Calculated Property |
| Tc | 898.85 | K | Relay (... Calculated Property |
| Tfus | 282.84 | K | Relay (... Calculated Property |
| Vc | 1.513 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1404.37; 1492.17] | J/mol×K | [1051.32; 1293.56] | 
|
| Cp,gas | 1404.37 | J/mol×K | 1051.32 | Joback Calculated Property |
| Cp,gas | 1422.82 | J/mol×K | 1091.69 | Joback Calculated Property |
| Cp,gas | 1439.62 | J/mol×K | 1132.07 | Joback Calculated Property |
| Cp,gas | 1454.85 | J/mol×K | 1172.44 | Joback Calculated Property |
| Cp,gas | 1468.62 | J/mol×K | 1212.81 | Joback Calculated Property |
| Cp,gas | 1481.02 | J/mol×K | 1253.18 | Joback Calculated Property |
| Cp,gas | 1492.17 | J/mol×K | 1293.56 | Joback Calculated Property |
| η | [0.0000126; 0.0001929] | Pa×s | [594.77; 1051.32] |
|
| η | 0.0001929 | Pa×s | 594.77 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 670.86 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 746.95 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 823.04 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 899.14 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 975.23 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 1051.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cis-hex-3-enyl pentadecyl ester.
Sources
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