- InChI
- InChI=1S/C23H34O4/c1-3-5-7-8-9-10-11-12-13-18-27-23(25)21-16-14-15-20(19-21)22(24)26-17-6-4-2/h12-16,19H,3-11,17-18H2,1-2H3/b13-12+
- InChI Key
- JTNIHRKQZCSKDM-OUKQBFOZSA-N
- Formula
- C23H34O4
- SMILES
-
CCCCCCCCC=CCOC(=O)c1cccc(C(=O)
OCCCC)c1 - Molecular Weight1
- 374.51
- 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 | 1.0420 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.107 | Crippen Calculated Property | |
| McVol | 321.750 | ml/mol | McGowan Calculated Property |
| Pc | 1136.73 | kPa | Joback Calculated Property |
| Inp | [2846.00; 2846.00] |
|
|
| Inp | 2846.00 | NIST | |
| Inp | 2846.00 | NIST | |
| Tboil | 654.77 | K | Relay (1.0) Calculated Property |
| Tc | 859.68 | K | Relay (1.0) Calculated Property |
| Tfus | 263.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.185 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.46; 1111.67] | J/mol×K | [914.04; 1122.42] |
|
| Cp,gas | 1030.46 | J/mol×K | 914.04 | Joback Calculated Property |
| Cp,gas | 1046.83 | J/mol×K | 948.77 | Joback Calculated Property |
| Cp,gas | 1062.01 | J/mol×K | 983.50 | Joback Calculated Property |
| Cp,gas | 1076.03 | J/mol×K | 1018.23 | Joback Calculated Property |
| Cp,gas | 1088.95 | J/mol×K | 1052.96 | Joback Calculated Property |
| Cp,gas | 1100.82 | J/mol×K | 1087.69 | Joback Calculated Property |
| Cp,gas | 1111.67 | J/mol×K | 1122.42 | Joback Calculated Property |
| η | [0.0000312; 0.0003985] | Pa×s | [527.15; 914.04] |
|
| η | 0.0003985 | Pa×s | 527.15 | Joback Calculated Property |
| η | 0.0002069 | Pa×s | 591.63 | Joback Calculated Property |
| η | 0.0001222 | Pa×s | 656.11 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 720.59 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 785.08 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 849.56 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 914.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl undec-2-en-1-yl ester.
Sources
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