- InChI
- InChI=1S/C18H32O4/c1-4-6-7-8-11-15-21-17(19)13-9-10-14-18(20)22-16(3)12-5-2/h5,16H,2,4,6-15H2,1,3H3
- InChI Key
- XSQISCYMENTVRC-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
C=CCC(C)OC(=O)CCCCC(=O)OCCCCCC
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 | 0.8884 | Relay (1.0) Calculated Property | |
| ΔfG° | -281.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -940.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.568 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1271.87 | kPa | Joback Calculated Property |
| Inp | [2056.00; 2056.00] |
|
|
| Inp | 2056.00 | NIST | |
| Inp | 2056.00 | NIST | |
| Tboil | 599.40 | K | Relay (1.0) Calculated Property |
| Tc | 758.22 | K | Relay (1.0) Calculated Property |
| Tfus | 245.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.025 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [824.18; 912.90] | J/mol×K | [760.06; 941.19] |
|
| Cp,gas | 824.18 | J/mol×K | 760.06 | Joback Calculated Property |
| Cp,gas | 841.21 | J/mol×K | 790.25 | Joback Calculated Property |
| Cp,gas | 857.32 | J/mol×K | 820.44 | Joback Calculated Property |
| Cp,gas | 872.53 | J/mol×K | 850.63 | Joback Calculated Property |
| Cp,gas | 886.86 | J/mol×K | 880.81 | Joback Calculated Property |
| Cp,gas | 900.31 | J/mol×K | 911.00 | Joback Calculated Property |
| Cp,gas | 912.90 | J/mol×K | 941.19 | Joback Calculated Property |
| η | [0.0000692; 0.0012431] | Pa×s | [420.18; 760.06] |
|
| η | 0.0012431 | Pa×s | 420.18 | Joback Calculated Property |
| η | 0.0005770 | Pa×s | 476.83 | Joback Calculated Property |
| η | 0.0003153 | Pa×s | 533.47 | Joback Calculated Property |
| η | 0.0001934 | Pa×s | 590.12 | Joback Calculated Property |
| η | 0.0001293 | Pa×s | 646.77 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 703.41 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 760.06 | Joback Calculated Property |
Similar Compounds
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Sources
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