- InChI
- InChI=1S/C8H16O/c9-7-8-5-3-1-2-4-6-8/h8-9H,1-7H2
- InChI Key
- BMCQFFXPECPDPS-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- OCC1CCCCCC1
- Molecular Weight1
- 128.21
- CAS
- 4448-75-3
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5345 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.949 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Tboil | 478.91 | K | Relay (1.0) Calculated Property |
| Tc | 713.85 | K | Relay (1.0) Calculated Property |
| Tfus | 300.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.65; 357.76] | J/mol×K | [498.44; 696.02] | 
|
| Cp,gas | 274.65 | J/mol×K | 498.44 | Joback Calculated Property |
| Cp,gas | 290.40 | J/mol×K | 531.37 | Joback Calculated Property |
| Cp,gas | 305.37 | J/mol×K | 564.30 | Joback Calculated Property |
| Cp,gas | 319.57 | J/mol×K | 597.23 | Joback Calculated Property |
| Cp,gas | 333.03 | J/mol×K | 630.16 | Joback Calculated Property |
| Cp,gas | 345.75 | J/mol×K | 663.09 | Joback Calculated Property |
| Cp,gas | 357.76 | J/mol×K | 696.02 | Joback Calculated Property |
| η | [0.0001392; 0.0923760] | Pa×s | [244.60; 498.44] |
|
| η | 0.0923760 | Pa×s | 244.60 | Joback Calculated Property |
| η | 0.0140749 | Pa×s | 286.91 | Joback Calculated Property |
| η | 0.0034781 | Pa×s | 329.21 | Joback Calculated Property |
| η | 0.0011817 | Pa×s | 371.52 | Joback Calculated Property |
| η | 0.0005006 | Pa×s | 413.83 | Joback Calculated Property |
| η | 0.0002487 | Pa×s | 456.13 | Joback Calculated Property |
| η | 0.0001392 | Pa×s | 498.44 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 486.20 | K | 95.20 | NIST |
Similar Compounds
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Sources
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