- InChI
- InChI=1S/C18H34O4/c1-5-15(3)11-13-21-17(19)9-7-8-10-18(20)22-14-12-16(4)6-2/h15-16H,5-14H2,1-4H3
- InChI Key
- DUPXCDVAINBDOS-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCC(C)CCOC(=O)CCCCC(=O)OCCC(C)
CC - Molecular Weight1
- 314.46
- 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 | 0.8962 | Relay (1.0) Calculated Property | |
| ΔfG° | -372.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1070.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1241.58 | kPa | Joback Calculated Property |
| Inp | 2093.00 | NIST | |
| Tboil | 596.04 | K | Relay (1.0) Calculated Property |
| Tc | 759.71 | K | Relay (1.0) Calculated Property |
| Tfus | 229.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.046 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.46; 942.50] | J/mol×K | [762.94; 944.42] | 
|
| Cp,gas | 850.46 | J/mol×K | 762.94 | Joback Calculated Property |
| Cp,gas | 868.17 | J/mol×K | 793.19 | Joback Calculated Property |
| Cp,gas | 884.91 | J/mol×K | 823.43 | Joback Calculated Property |
| Cp,gas | 900.70 | J/mol×K | 853.68 | Joback Calculated Property |
| Cp,gas | 915.55 | J/mol×K | 883.93 | Joback Calculated Property |
| Cp,gas | 929.48 | J/mol×K | 914.17 | Joback Calculated Property |
| Cp,gas | 942.50 | J/mol×K | 944.42 | Joback Calculated Property |
| η | [0.0000599; 0.0015163] | Pa×s | [406.94; 762.94] |
|
| η | 0.0015163 | Pa×s | 406.94 | Joback Calculated Property |
| η | 0.0006283 | Pa×s | 466.27 | Joback Calculated Property |
| η | 0.0003176 | Pa×s | 525.61 | Joback Calculated Property |
| η | 0.0001844 | Pa×s | 584.94 | Joback Calculated Property |
| η | 0.0001183 | Pa×s | 644.27 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 703.61 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 762.94 | Joback Calculated Property |
Similar Compounds
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Sources
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