- InChI
- InChI=1S/C19H26O4/c1-4-5-6-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-14-15(2)3/h9-11,13H,2,4-8,12,14H2,1,3H3
- InChI Key
- FTNXBVVWFDNDKJ-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
C=C(C)COC(=O)c1cccc(C(=O)OCCCC
CCC)c1 - Molecular Weight1
- 318.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.9243 | Relay (... Calculated Property | |
| ΔfG° | -176.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.22 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -5.61 | Relay (... Calculated Property | |
| logPoct/wat | 4.547 | Crippen Calculated Property | |
| McVol | 265.390 | ml/mol | McGowan Calculated Property |
| Pc | 1494.19 | kPa | Joback Calculated Property |
| Inp | 2394.00 | NIST | |
| Tboil | 643.40 | K | Relay (... Calculated Property |
| Tc | 828.91 | K | Relay (... Calculated Property |
| Tfus | 286.62 | K | Relay (... Calculated Property |
| Vc | 0.980 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.95; 869.72] | J/mol×K | [814.92; 1018.11] | 
|
| Cp,gas | 791.95 | J/mol×K | 814.92 | Joback Calculated Property |
| Cp,gas | 807.51 | J/mol×K | 848.79 | Joback Calculated Property |
| Cp,gas | 821.99 | J/mol×K | 882.65 | Joback Calculated Property |
| Cp,gas | 835.43 | J/mol×K | 916.52 | Joback Calculated Property |
| Cp,gas | 847.85 | J/mol×K | 950.38 | Joback Calculated Property |
| Cp,gas | 859.27 | J/mol×K | 984.25 | Joback Calculated Property |
| Cp,gas | 869.72 | J/mol×K | 1018.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl 2-methylprop-2-en-1-yl ester.
Sources
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