- InChI
- InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3
- InChI Key
- HHBZZTKMMLDNDN-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(C)OC(C)CC
- Molecular Weight1
- 130.23
- 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).
- 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 | 0.3986 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.600 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2532.82 | kPa | Joback Calculated Property |
| Inp | [786.00; 786.00] |
|
|
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Tboil | 396.72 | K | Relay (1.0) Calculated Property |
| Tc | 557.60 | K | Relay (1.0) Calculated Property |
| Tfus | 177.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.97; 451.63] | 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 | 1.77520e+01 | |||
| Coefficient B | 7.12480e-01 | |||
| Coefficient C | -3.06800e-04 | |||
| Coefficient D | 2.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 189.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 307.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 339.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 393.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0136903; 0.0002058] | Pa×s | [172.15; 402.98] |
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 | -1.16187e+01 | |||
| Coefficient B | 1.26145e+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. | 172.15 | |||
| Temperature range, max. | 402.98 | |||
| η | 0.0136903 | Pa×s | 172.15 | Calculated Property |
| η | 0.0052939 | Pa×s | 197.80 | Calculated Property |
| η | 0.0025460 | Pa×s | 223.45 | Calculated Property |
| η | 0.0014237 | Pa×s | 249.09 | Calculated Property |
| η | 0.0008874 | Pa×s | 274.74 | Calculated Property |
| η | 0.0005996 | Pa×s | 300.39 | Calculated Property |
| η | 0.0004309 | Pa×s | 326.04 | Calculated Property |
| η | 0.0003250 | Pa×s | 351.68 | Calculated Property |
| η | 0.0002547 | Pa×s | 377.33 | Calculated Property |
| η | 0.0002058 | Pa×s | 402.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-methyl-1,1'-oxybis.
Sources
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