- InChI
- InChI=1S/C17H22O4/c1-3-5-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-6-4-2/h3,8-10,13H,1,4-7,11-12H2,2H3
- InChI Key
- LEFJXIIURQPKLJ-UHFFFAOYSA-N
- Formula
- C17H22O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCC)
c1 - Molecular Weight1
- 290.35
- 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° | -184.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 3.766 | Crippen Calculated Property | |
| McVol | 237.210 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | 2145.00 | NIST | |
| Tboil | 769.28 | K | Joback Calculated Property |
| Tc | 972.21 | K | Joback Calculated Property |
| Tfus | 462.85 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.74; 753.67] | J/mol×K | [769.28; 972.21] | 
|
| Cp,gas | 678.74 | J/mol×K | 769.28 | Joback Calculated Property |
| Cp,gas | 693.64 | J/mol×K | 803.10 | Joback Calculated Property |
| Cp,gas | 707.55 | J/mol×K | 836.92 | Joback Calculated Property |
| Cp,gas | 720.49 | J/mol×K | 870.74 | Joback Calculated Property |
| Cp,gas | 732.48 | J/mol×K | 904.57 | Joback Calculated Property |
| Cp,gas | 743.53 | J/mol×K | 938.39 | Joback Calculated Property |
| Cp,gas | 753.67 | J/mol×K | 972.21 | Joback Calculated Property |
| η | [0.0000872; 0.0007930] | Pa×s | [462.85; 769.28] |
|
| η | 0.0007930 | Pa×s | 462.85 | Joback Calculated Property |
| η | 0.0004572 | Pa×s | 513.92 | Joback Calculated Property |
| η | 0.0002912 | Pa×s | 564.99 | Joback Calculated Property |
| η | 0.0001999 | Pa×s | 616.07 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 667.14 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 718.21 | Joback Calculated Property |
| η | 0.0000872 | Pa×s | 769.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pent-4-enyl butyl ester.
Sources
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