- InChI
- InChI=1S/C24H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-19-28-24(26)22-17-15-16-21(20-22)23(25)27-18-4-2/h15-17,20H,3-12,18-19H2,1-2H3
- InChI Key
- QJCVBXCOHUVOLQ-UHFFFAOYSA-N
- Formula
- C24H34O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1cccc(C(=
O)OCCC)c1 - Molecular Weight1
- 386.52
- 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 | 1.0509 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.944 | Crippen Calculated Property | |
| McVol | 331.540 | ml/mol | McGowan Calculated Property |
| Pc | 1145.99 | kPa | Joback Calculated Property |
| Inp | [2976.00; 2976.00] |
|
|
| Inp | 2976.00 | NIST | |
| Inp | 2976.00 | NIST | |
| Tboil | 660.88 | K | Relay (1.0) Calculated Property |
| Tc | 875.14 | K | Relay (1.0) Calculated Property |
| Tfus | 293.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.219 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.60; 1140.93] | J/mol×K | [941.76; 1156.88] |
|
| Cp,gas | 1064.60 | J/mol×K | 941.76 | Joback Calculated Property |
| Cp,gas | 1080.57 | J/mol×K | 977.61 | Joback Calculated Property |
| Cp,gas | 1095.20 | J/mol×K | 1013.47 | Joback Calculated Property |
| Cp,gas | 1108.51 | J/mol×K | 1049.32 | Joback Calculated Property |
| Cp,gas | 1120.55 | J/mol×K | 1085.17 | Joback Calculated Property |
| Cp,gas | 1131.35 | J/mol×K | 1121.03 | Joback Calculated Property |
| Cp,gas | 1140.93 | J/mol×K | 1156.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, propyl tridec-2-ynyl ester.
Sources
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