- InChI
- InChI=1S/C19H26O4/c1-4-6-7-8-10-15(3)23-19(21)17-12-9-11-16(14-17)18(20)22-13-5-2/h8-12,14-15H,4-7,13H2,1-3H3/b10-8+
- InChI Key
- GUMWVJKMLOBMRW-CSKARUKUSA-N
- Formula
- C19H26O4
- SMILES
-
CCCCC=CC(C)OC(=O)c1cccc(C(=O)O
CCC)c1 - Molecular Weight1
- 318.41
- ω : Acentric Factor.
- 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).
- 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 | 0.8344 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.545 | Crippen Calculated Property | |
| McVol | 265.390 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Inp | 2327.00 | NIST | |
| Tboil | 615.02 | K | Relay (1.0) Calculated Property |
| Tc | 807.65 | K | Relay (1.0) Calculated Property |
| Tfus | 268.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.965 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.60; 871.66] | J/mol×K | [822.08; 1028.56] | 
|
| Cp,gas | 793.60 | J/mol×K | 822.08 | Joback Calculated Property |
| Cp,gas | 809.20 | J/mol×K | 856.49 | Joback Calculated Property |
| Cp,gas | 823.72 | J/mol×K | 890.91 | Joback Calculated Property |
| Cp,gas | 837.19 | J/mol×K | 925.32 | Joback Calculated Property |
| Cp,gas | 849.65 | J/mol×K | 959.74 | Joback Calculated Property |
| Cp,gas | 861.13 | J/mol×K | 994.15 | Joback Calculated Property |
| Cp,gas | 871.66 | J/mol×K | 1028.56 | Joback Calculated Property |
| η | [0.0000503; 0.0006893] | Pa×s | [467.07; 822.08] |
|
| η | 0.0006893 | Pa×s | 467.07 | Joback Calculated Property |
| η | 0.0003486 | Pa×s | 526.24 | Joback Calculated Property |
| η | 0.0002023 | Pa×s | 585.41 | Joback Calculated Property |
| η | 0.0001298 | Pa×s | 644.57 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 703.74 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 762.91 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 822.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, oct-3-en-2-yl propyl ester.
Sources
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