- InChI
- InChI=1S/C18H32O4/c1-4-6-8-9-10-11-12-16(3)22-18(20)14-13-17(19)21-15-7-5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+
- InChI Key
- YIEUMBHDJZBNJF-BUHFOSPRSA-N
- Formula
- C18H32O4
- SMILES
-
CCCCCCCCC(C)OC(=O)C=CC(=O)OCCC
C - 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 | 0.9124 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.568 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1280.99 | kPa | Joback Calculated Property |
| Inp | [2091.00; 2091.00] |
|
|
| Inp | 2091.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Tboil | 579.81 | K | Relay (1.0) Calculated Property |
| Tc | 751.86 | K | Relay (1.0) Calculated Property |
| Tfus | 261.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.029 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [825.70; 914.48] | J/mol×K | [767.54; 951.19] |
|
| Cp,gas | 825.70 | J/mol×K | 767.54 | Joback Calculated Property |
| Cp,gas | 842.72 | J/mol×K | 798.15 | Joback Calculated Property |
| Cp,gas | 858.83 | J/mol×K | 828.76 | Joback Calculated Property |
| Cp,gas | 874.04 | J/mol×K | 859.37 | Joback Calculated Property |
| Cp,gas | 888.37 | J/mol×K | 889.97 | Joback Calculated Property |
| Cp,gas | 901.84 | J/mol×K | 920.58 | Joback Calculated Property |
| Cp,gas | 914.48 | J/mol×K | 951.19 | Joback Calculated Property |
| η | [0.0000564; 0.0011565] | Pa×s | [416.86; 767.54] |
|
| η | 0.0011565 | Pa×s | 416.86 | Joback Calculated Property |
| η | 0.0005130 | Pa×s | 475.31 | Joback Calculated Property |
| η | 0.0002719 | Pa×s | 533.75 | Joback Calculated Property |
| η | 0.0001633 | Pa×s | 592.20 | Joback Calculated Property |
| η | 0.0001075 | Pa×s | 650.65 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 709.09 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 767.54 | Joback Calculated Property |
Similar Compounds
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Sources
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