- InChI
- InChI=1S/C18H32O4/c1-3-5-12-16-22-18(20)14-11-9-7-6-8-10-13-17(19)21-15-4-2/h3H,1,4-16H2,2H3
- InChI Key
- AHJTVYSMOMWCGM-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
- C=CCCCOC(=O)CCCCCCCCC(=O)OCCC
- Molecular Weight1
- 312.44
- 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 | 0.9335 | Relay (1.0) Calculated Property | |
| ΔfG° | -432.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -933.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.570 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | 2187.00 | NIST | |
| Tboil | 619.51 | K | Relay (1.0) Calculated Property |
| Tc | 771.66 | K | Relay (1.0) Calculated Property |
| Tfus | 265.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.042 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.34; 897.80] | J/mol×K | [724.56; 898.58] | 
|
| Cp,gas | 808.34 | J/mol×K | 724.56 | Joback Calculated Property |
| Cp,gas | 825.51 | J/mol×K | 753.56 | Joback Calculated Property |
| Cp,gas | 841.75 | J/mol×K | 782.57 | Joback Calculated Property |
| Cp,gas | 857.09 | J/mol×K | 811.57 | Joback Calculated Property |
| Cp,gas | 871.53 | J/mol×K | 840.57 | Joback Calculated Property |
| Cp,gas | 885.10 | J/mol×K | 869.57 | Joback Calculated Property |
| Cp,gas | 897.80 | J/mol×K | 898.58 | Joback Calculated Property |
| η | [0.0000599; 0.0019609] | Pa×s | [375.52; 724.56] |
|
| η | 0.0019609 | Pa×s | 375.52 | Joback Calculated Property |
| η | 0.0007423 | Pa×s | 433.69 | Joback Calculated Property |
| η | 0.0003536 | Pa×s | 491.87 | Joback Calculated Property |
| η | 0.0001970 | Pa×s | 550.04 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 608.21 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 666.39 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 724.56 | Joback Calculated Property |
Similar Compounds
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Sources
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