- InChI
- InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-27-23(25)21-17-15-16-20(19-21)22(24)26-4-2/h15-17,19H,3-12,18H2,1-2H3
- InChI Key
- YIVXZOWRVNKJIO-UHFFFAOYSA-N
- Formula
- C23H32O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1cccc(C(=
O)OCC)c1 - Molecular Weight1
- 372.50
- 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 | 1.0084 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.554 | Crippen Calculated Property | |
| McVol | 317.450 | ml/mol | McGowan Calculated Property |
| Pc | 1224.27 | kPa | Joback Calculated Property |
| Inp | [2870.00; 2870.00] |
|
|
| Inp | 2870.00 | NIST | |
| Inp | 2870.00 | NIST | |
| Tboil | 652.36 | K | Relay (1.0) Calculated Property |
| Tc | 867.07 | K | Relay (1.0) Calculated Property |
| Tfus | 294.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.167 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.00; 1080.23] | J/mol×K | [918.88; 1132.03] |
|
| Cp,gas | 1004.00 | J/mol×K | 918.88 | Joback Calculated Property |
| Cp,gas | 1019.84 | J/mol×K | 954.41 | Joback Calculated Property |
| Cp,gas | 1034.38 | J/mol×K | 989.93 | Joback Calculated Property |
| Cp,gas | 1047.66 | J/mol×K | 1025.46 | Joback Calculated Property |
| Cp,gas | 1059.71 | J/mol×K | 1060.98 | Joback Calculated Property |
| Cp,gas | 1070.55 | J/mol×K | 1096.51 | Joback Calculated Property |
| Cp,gas | 1080.23 | J/mol×K | 1132.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl tridec-2-ynyl ester.
Sources
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