- InChI
- InChI=1S/C19H26O4/c1-3-4-6-9-16(2)23-19(21)13-12-18(20)22-15-14-17-10-7-5-8-11-17/h5,7-8,10-13,16H,3-4,6,9,14-15H2,1-2H3/b13-12+
- InChI Key
- NAZVGKODDTWYIY-OUKQBFOZSA-N
- Formula
- C19H26O4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)OCCc1cc
ccc1 - 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 | 0.8491 | Relay (1.0) Calculated Property | |
| ΔfG° | -168.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 265.390 | ml/mol | McGowan Calculated Property |
| Pc | 1527.07 | kPa | Joback Calculated Property |
| Inp | 2282.00 | NIST | |
| Tboil | 619.75 | K | Relay (1.0) Calculated Property |
| Tc | 816.51 | K | Relay (1.0) Calculated Property |
| Tfus | 273.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.958 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.38; 873.00] | J/mol×K | [817.10; 1022.78] | 
|
| Cp,gas | 794.38 | J/mol×K | 817.10 | Joback Calculated Property |
| Cp,gas | 810.06 | J/mol×K | 851.38 | Joback Calculated Property |
| Cp,gas | 824.66 | J/mol×K | 885.66 | Joback Calculated Property |
| Cp,gas | 838.22 | J/mol×K | 919.94 | Joback Calculated Property |
| Cp,gas | 850.77 | J/mol×K | 954.22 | Joback Calculated Property |
| Cp,gas | 862.35 | J/mol×K | 988.50 | Joback Calculated Property |
| Cp,gas | 873.00 | J/mol×K | 1022.78 | Joback Calculated Property |
| η | [0.0000497; 0.0008301] | Pa×s | [454.55; 817.10] |
|
| η | 0.0008301 | Pa×s | 454.55 | Joback Calculated Property |
| η | 0.0003943 | Pa×s | 514.98 | Joback Calculated Property |
| η | 0.0002190 | Pa×s | 575.40 | Joback Calculated Property |
| η | 0.0001360 | Pa×s | 635.82 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 696.25 | Joback Calculated Property |
| η | 0.0000659 | Pa×s | 756.67 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 817.10 | Joback Calculated Property |
Similar Compounds
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Sources
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