- InChI
- InChI=1S/C18H34O4/c1-6-8-10-15(7-2)13-21-16(19)11-9-12-17(20)22-14-18(3,4)5/h15H,6-14H2,1-5H3
- InChI Key
- NPRGEYSLJVYPPJ-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCC(CC)COC(=O)CCCC(=O)OCC(C)
(C)C - Molecular Weight1
- 314.46
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -366.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -918.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1251.26 | kPa | Joback Calculated Property |
| Inp | [1962.00; 1962.00] |
|
|
| Inp | 1962.00 | NIST | |
| Inp | 1962.00 | NIST | |
| Tboil | 760.15 | K | Joback Calculated Property |
| Tc | 944.42 | K | Joback Calculated Property |
| Tfus | 424.36 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.53; 943.57] | J/mol×K | [760.15; 944.42] |
|
| Cp,gas | 851.53 | J/mol×K | 760.15 | Joback Calculated Property |
| Cp,gas | 869.25 | J/mol×K | 790.86 | Joback Calculated Property |
| Cp,gas | 885.98 | J/mol×K | 821.57 | Joback Calculated Property |
| Cp,gas | 901.76 | J/mol×K | 852.29 | Joback Calculated Property |
| Cp,gas | 916.60 | J/mol×K | 883.00 | Joback Calculated Property |
| Cp,gas | 930.53 | J/mol×K | 913.71 | Joback Calculated Property |
| Cp,gas | 943.57 | J/mol×K | 944.42 | Joback Calculated Property |
| η | [0.0000532; 0.0012334] | Pa×s | [424.36; 760.15] |
|
| η | 0.0012334 | Pa×s | 424.36 | Joback Calculated Property |
| η | 0.0005382 | Pa×s | 480.32 | Joback Calculated Property |
| η | 0.0002793 | Pa×s | 536.29 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 592.25 | Joback Calculated Property |
| η | 0.0001056 | Pa×s | 648.22 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 704.18 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 760.15 | Joback Calculated Property |
Similar Compounds
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Sources
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