- InChI
- InChI=1S/C8H16O/c1-9-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
- InChI Key
- UXXIFJBQPUDTNK-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- COCC1CCCCC1
- Molecular Weight1
- 128.21
- CAS
- 19752-94-4
- ω : Acentric Factor.
- 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).
- 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 | 0.3092 | Relay (1.0) Calculated Property | |
| PAff | 833.50 | kJ/mol | NIST |
| BasG | 801.60 | kJ/mol | NIST |
| ΔfG° | -64.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.213 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Tboil | 429.32 | K | Relay (1.0) Calculated Property |
| Tc | 638.77 | K | Relay (1.0) Calculated Property |
| Tfus | 202.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.48; 435.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.44890e+01 | |||
| Coefficient B | 8.22720e-01 | |||
| Coefficient C | -3.81400e-04 | |||
| Coefficient D | 3.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 244.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 283.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 349.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 376.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 400.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 419.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 435.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058646; 0.0002257] | Pa×s | [209.53; 437.40] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13913e+01 | |||
| Coefficient B | 1.31008e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 209.53 | |||
| Temperature range, max. | 437.40 | |||
| η | 0.0058646 | Pa×s | 209.53 | Calculated Property |
| η | 0.0029888 | Pa×s | 234.85 | Calculated Property |
| η | 0.0017367 | Pa×s | 260.17 | Calculated Property |
| η | 0.0011112 | Pa×s | 285.49 | Calculated Property |
| η | 0.0007646 | Pa×s | 310.80 | Calculated Property |
| η | 0.0005566 | Pa×s | 336.12 | Calculated Property |
| η | 0.0004236 | Pa×s | 361.44 | Calculated Property |
| η | 0.0003341 | Pa×s | 386.76 | Calculated Property |
| η | 0.0002714 | Pa×s | 412.08 | Calculated Property |
| η | 0.0002257 | Pa×s | 437.40 | Calculated Property |
Similar Compounds
Find more compounds similar to C6H11CH2OCH3.
Sources
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