- InChI
- InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2
- InChI Key
- UHHKSVZZTYJVEG-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C1CCCOCC1
- Molecular Weight1
- 100.16
- CAS
- 592-90-5
- Other Names
-
- Hexahydrooxepin
- Hexamethylene oxide
- Hexane, 1,6-epoxy-
- Oxacycloheptane
- Oxepin, hexahydro-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 834.20 | kJ/mol | NIST |
| BasG | 806.80 | kJ/mol | NIST |
| ΔfG° | -66.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.37 | kJ/mol | Joback Calculated Property |
| IE | 9.15 ± 0.05 | eV | NIST |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 1.577 | Crippen Calculated Property | |
| McVol | 90.410 | ml/mol | McGowan Calculated Property |
| Pc | 4216.56 | kPa | Joback Calculated Property |
| Inp | [804.00; 804.00] |
|
|
| Inp | 804.00 | NIST | |
| Inp | 804.00 | NIST | |
| Tboil | 389.15 ± 1.00 | K | NIST |
| Tc | 606.54 | K | Joback Calculated Property |
| Tfus | 192.05 | K | Joback Calculated Property |
| Vc | 0.319 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.77; 242.55] | J/mol×K | [392.12; 606.54] |
|
| Cp,gas | 161.77 | J/mol×K | 392.12 | Joback Calculated Property |
| Cp,gas | 177.11 | J/mol×K | 427.86 | Joback Calculated Property |
| Cp,gas | 191.68 | J/mol×K | 463.59 | Joback Calculated Property |
| Cp,gas | 205.49 | J/mol×K | 499.33 | Joback Calculated Property |
| Cp,gas | 218.56 | J/mol×K | 535.07 | Joback Calculated Property |
| Cp,gas | 230.91 | J/mol×K | 570.80 | Joback Calculated Property |
| Cp,gas | 242.55 | J/mol×K | 606.54 | Joback Calculated Property |
| η | [0.0003248; 0.0287555] | Pa×s | [192.05; 392.12] |
|
| η | 0.0287555 | Pa×s | 192.05 | Joback Calculated Property |
| η | 0.0078368 | Pa×s | 225.40 | Joback Calculated Property |
| η | 0.0029859 | Pa×s | 258.74 | Joback Calculated Property |
| η | 0.0014181 | Pa×s | 292.09 | Joback Calculated Property |
| η | 0.0007845 | Pa×s | 325.43 | Joback Calculated Property |
| η | 0.0004845 | Pa×s | 358.77 | Joback Calculated Property |
| η | 0.0003248 | Pa×s | 392.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxepane.
Sources
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