- InChI
- InChI=1S/C7H16O/c1-4-5-8-6-7(2)3/h7H,4-6H2,1-3H3
- InChI Key
- NKBWHRMIYKMDDN-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCCOCC(C)C
- Molecular Weight1
- 116.20
- CAS
- 15268-49-2
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4092 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.25 | kJ/mol | NIST |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.069 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 2773.00 | kPa | Joback Calculated Property |
| Tboil | 381.00 | K | NIST |
| Tc | 557.21 | K | Relay (1.0) Calculated Property |
| Tfus | 151.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 32.55 | kJ/mol | 381.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.70 | K | 96.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.07; 399.50] | 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 | 2.03430e+01 | |||
| Coefficient B | 6.11560e-01 | |||
| Coefficient C | -2.49200e-04 | |||
| Coefficient D | 1.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 299.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 325.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 347.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 367.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 384.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 399.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0068890; 0.0002105] | Pa×s | [175.88; 384.99] |
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 | -1.13997e+01 | |||
| Coefficient B | 1.12947e+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. | 175.88 | |||
| Temperature range, max. | 384.99 | |||
| η | 0.0068890 | Pa×s | 175.88 | Calculated Property |
| η | 0.0032563 | Pa×s | 199.11 | Calculated Property |
| η | 0.0018001 | Pa×s | 222.35 | Calculated Property |
| η | 0.0011132 | Pa×s | 245.58 | Calculated Property |
| η | 0.0007481 | Pa×s | 268.82 | Calculated Property |
| η | 0.0005355 | Pa×s | 292.05 | Calculated Property |
| η | 0.0004027 | Pa×s | 315.28 | Calculated Property |
| η | 0.0003149 | Pa×s | 338.52 | Calculated Property |
| η | 0.0002542 | Pa×s | 361.75 | Calculated Property |
| η | 0.0002105 | Pa×s | 384.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-methyl-1-propoxy-.
Sources
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