- InChI
- InChI=1S/C16H24O4/c1-8-9(2)13(17)12-15(19-6)10(3)14(18-5)11(4)16(12)20-7/h9H,8H2,1-7H3
- InChI Key
- NPBLAHCDLPLESG-UHFFFAOYSA-N
- Formula
- C16H24O4
- SMILES
-
CCC(C)C(=O)c1c(OC)c(C)c(OC)c(C
)c1OC - Molecular Weight1
- 280.36
- 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° | -298.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.558 | Crippen Calculated Property | |
| McVol | 231.720 | ml/mol | McGowan Calculated Property |
| Pc | 1628.54 | kPa | Joback Calculated Property |
| Inp | 1777.00 | NIST | |
| Tboil | 737.75 | K | Joback Calculated Property |
| Tc | 938.11 | K | Joback Calculated Property |
| Tfus | 460.72 | K | Joback Calculated Property |
| Vc | 0.877 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.24; 737.82] | J/mol×K | [737.75; 938.11] | 
|
| Cp,gas | 655.24 | J/mol×K | 737.75 | Joback Calculated Property |
| Cp,gas | 671.37 | J/mol×K | 771.14 | Joback Calculated Property |
| Cp,gas | 686.57 | J/mol×K | 804.54 | Joback Calculated Property |
| Cp,gas | 700.85 | J/mol×K | 837.93 | Joback Calculated Property |
| Cp,gas | 714.16 | J/mol×K | 871.32 | Joback Calculated Property |
| Cp,gas | 726.49 | J/mol×K | 904.71 | Joback Calculated Property |
| Cp,gas | 737.82 | J/mol×K | 938.11 | Joback Calculated Property |
| η | [0.0000674; 0.0004199] | Pa×s | [460.72; 737.75] |
|
| η | 0.0004199 | Pa×s | 460.72 | Joback Calculated Property |
| η | 0.0002694 | Pa×s | 506.89 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 553.06 | Joback Calculated Property |
| η | 0.0001362 | Pa×s | 599.24 | Joback Calculated Property |
| η | 0.0001042 | Pa×s | 645.41 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 691.58 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 737.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isotorquatone.
Sources
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