- InChI
- InChI=1S/C21H40O4/c1-7-13-17(14-8-2)24-19(22)21(11-5,12-6)20(23)25-18(15-9-3)16-10-4/h17-18H,7-16H2,1-6H3
- InChI Key
- UCVAAUPRJHJSSC-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCC(CCC)OC(=O)C(CC)(CC)C(=O)O
C(CCC)CCC - Molecular Weight1
- 356.54
- 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 | 0.8692 | Relay (1.0) Calculated Property | |
| ΔfG° | -343.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1093.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.817 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1035.90 | kPa | Joback Calculated Property |
| Inp | [1908.00; 1908.00] |
|
|
| Inp | 1908.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 585.48 | K | Relay (1.0) Calculated Property |
| Tc | 769.79 | K | Relay (1.0) Calculated Property |
| Tfus | 234.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.180 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.95; 1128.05] | J/mol×K | [828.35; 1018.59] |
|
| Cp,gas | 1031.95 | J/mol×K | 828.35 | Joback Calculated Property |
| Cp,gas | 1050.71 | J/mol×K | 860.06 | Joback Calculated Property |
| Cp,gas | 1068.32 | J/mol×K | 891.76 | Joback Calculated Property |
| Cp,gas | 1084.83 | J/mol×K | 923.47 | Joback Calculated Property |
| Cp,gas | 1100.26 | J/mol×K | 955.18 | Joback Calculated Property |
| Cp,gas | 1114.66 | J/mol×K | 986.89 | Joback Calculated Property |
| Cp,gas | 1128.05 | J/mol×K | 1018.59 | Joback Calculated Property |
| η | [0.0000308; 0.0010254] | Pa×s | [443.17; 828.35] |
|
| η | 0.0010254 | Pa×s | 443.17 | Joback Calculated Property |
| η | 0.0003951 | Pa×s | 507.37 | Joback Calculated Property |
| η | 0.0001886 | Pa×s | 571.56 | Joback Calculated Property |
| η | 0.0001045 | Pa×s | 635.76 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 699.96 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 764.15 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 828.35 | Joback Calculated Property |
Similar Compounds
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Sources
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