- InChI
- InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2
- InChI Key
- ZSIAUFGUXNUGDI-GILSBCIXSA-N
- Formula
- C6H3D11O
- SMILES
- CCCCCCO
- Molecular Weight1
- 113.24
- 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).
- I : 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° | -137.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.63 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.559 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| I | [1266.00; 1266.00] |
|
|
| I | 1266.00 | NIST | |
| I | 1266.00 | NIST | |
| Tboil | 428.86 | K | Joback Calculated Property |
| Tc | 589.96 | K | Joback Calculated Property |
| Tfus | 218.20 | K | Joback Calculated Property |
| Vc | 0.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.67; 259.79] | J/mol×K | [428.86; 589.96] |
|
| Cp,gas | 207.67 | J/mol×K | 428.86 | Joback Calculated Property |
| Cp,gas | 217.18 | J/mol×K | 455.71 | Joback Calculated Property |
| Cp,gas | 226.36 | J/mol×K | 482.56 | Joback Calculated Property |
| Cp,gas | 235.20 | J/mol×K | 509.41 | Joback Calculated Property |
| Cp,gas | 243.71 | J/mol×K | 536.26 | Joback Calculated Property |
| Cp,gas | 251.90 | J/mol×K | 563.11 | Joback Calculated Property |
| Cp,gas | 259.79 | J/mol×K | 589.96 | Joback Calculated Property |
| η | [0.0002497; 0.0859852] | Pa×s | [218.20; 428.86] |
|
| η | 0.0859852 | Pa×s | 218.20 | Joback Calculated Property |
| η | 0.0165401 | Pa×s | 253.31 | Joback Calculated Property |
| η | 0.0047527 | Pa×s | 288.42 | Joback Calculated Property |
| η | 0.0017902 | Pa×s | 323.53 | Joback Calculated Property |
| η | 0.0008164 | Pa×s | 358.64 | Joback Calculated Property |
| η | 0.0004282 | Pa×s | 393.75 | Joback Calculated Property |
| η | 0.0002497 | Pa×s | 428.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexyl-d11 acetate.
Sources
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