- InChI
- InChI=1S/C18H24O4/c1-4-5-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13-6-7-14(2)3/h4,8-11,14H,1,5-7,12-13H2,2-3H3
- InChI Key
- OSVOEMIYDBWRKS-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
C=CCCOC(=O)c1ccc(C(=O)OCCCC(C)
C)cc1 - Molecular Weight1
- 304.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -178.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.85 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.013 | Crippen Calculated Property | |
| McVol | 251.300 | ml/mol | McGowan Calculated Property |
| Pc | 1615.47 | kPa | Joback Calculated Property |
| Inp | [2287.00; 2287.00] |
|
|
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Tboil | 791.72 | K | Joback Calculated Property |
| Tc | 996.07 | K | Joback Calculated Property |
| Tfus | 459.12 | K | Joback Calculated Property |
| Vc | 0.959 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.60; 812.34] | J/mol×K | [791.72; 996.07] |
|
| Cp,gas | 735.60 | J/mol×K | 791.72 | Joback Calculated Property |
| Cp,gas | 750.96 | J/mol×K | 825.78 | Joback Calculated Property |
| Cp,gas | 765.27 | J/mol×K | 859.84 | Joback Calculated Property |
| Cp,gas | 778.54 | J/mol×K | 893.90 | Joback Calculated Property |
| Cp,gas | 790.79 | J/mol×K | 927.95 | Joback Calculated Property |
| Cp,gas | 802.05 | J/mol×K | 962.01 | Joback Calculated Property |
| Cp,gas | 812.34 | J/mol×K | 996.07 | Joback Calculated Property |
| η | [0.0000705; 0.0008308] | Pa×s | [459.12; 791.72] |
|
| η | 0.0008308 | Pa×s | 459.12 | Joback Calculated Property |
| η | 0.0004413 | Pa×s | 514.55 | Joback Calculated Property |
| η | 0.0002651 | Pa×s | 569.99 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 625.42 | Joback Calculated Property |
| η | 0.0001227 | Pa×s | 680.85 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 736.29 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 791.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, but-3-enyl isohexyl ester.
Sources
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