- InChI
- InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3/t8-/m0/s1
- InChI Key
- LAIUFBWHERIJIH-MRVPVSSYSA-N
- Formula
- C8H18
- SMILES
- CCCC[C@@H](C)CC
- Molecular Weight1
- 114.23
- 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).
- 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 | 0.3314 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 123.580 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Tboil | 390.15 ± 2.00 | K | NIST |
| Tc | 568.86 | K | Relay (1.0) Calculated Property |
| Tfus | 154.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.88; 432.59] | 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 | -6.06600e+00 | |||
| Coefficient B | 7.69760e-01 | |||
| Coefficient C | -4.14600e-04 | |||
| Coefficient D | 8.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 323.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 350.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 375.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 397.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 416.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 432.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0105616; 0.0002327] | Pa×s | [164.92; 384.64] |
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 | -1.12298e+01 | |||
| Coefficient B | 1.10154e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 164.92 | |||
| Temperature range, max. | 384.64 | |||
| η | 0.0105616 | Pa×s | 164.92 | Calculated Property |
| η | 0.0044637 | Pa×s | 189.33 | Calculated Property |
| η | 0.0022967 | Pa×s | 213.75 | Calculated Property |
| η | 0.0013542 | Pa×s | 238.16 | Calculated Property |
| η | 0.0008809 | Pa×s | 262.57 | Calculated Property |
| η | 0.0006165 | Pa×s | 286.99 | Calculated Property |
| η | 0.0004563 | Pa×s | 311.40 | Calculated Property |
| η | 0.0003528 | Pa×s | 335.81 | Calculated Property |
| η | 0.0002825 | Pa×s | 360.22 | Calculated Property |
| η | 0.0002327 | Pa×s | 384.64 | Calculated Property |
Similar Compounds
Find more compounds similar to (S)-3-methylheptane.
Sources
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