- InChI
- InChI=1S/C11H22O/c1-3-5-7-11(8-6-4-2)9-12-10-11/h3-10H2,1-2H3
- InChI Key
- ISNIPFKDIOZFHP-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- CCCCC1(CCCC)COC1
- Molecular Weight1
- 170.29
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.4896 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 160.860 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | [1251.00; 1251.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Tboil | 482.15 | K | Relay (1.0) Calculated Property |
| Tc | 661.01 | K | Relay (1.0) Calculated Property |
| Tfus | 192.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.22; 473.90] | J/mol×K | [489.28; 677.09] |
|
| Cp,gas | 381.22 | J/mol×K | 489.28 | Joback Calculated Property |
| Cp,gas | 398.92 | J/mol×K | 520.58 | Joback Calculated Property |
| Cp,gas | 415.60 | J/mol×K | 551.88 | Joback Calculated Property |
| Cp,gas | 431.35 | J/mol×K | 583.19 | Joback Calculated Property |
| Cp,gas | 446.26 | J/mol×K | 614.49 | Joback Calculated Property |
| Cp,gas | 460.41 | J/mol×K | 645.79 | Joback Calculated Property |
| Cp,gas | 473.90 | J/mol×K | 677.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3,3-dibutyl.
Sources
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