- InChI
- InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
- InChI Key
- VLJXXKKOSFGPHI-SSDOTTSWSA-N
- Formula
- C7H16
- SMILES
- CCCC(C)CC
- Molecular Weight1
- 100.20
- CAS
- 6131-24-4
- 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 | 0.3162 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 109.490 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Tboil | [363.80; 365.15] | K |
|
| Tboil | 364.65 ± 1.50 | K | NIST |
| Tboil | 363.80 ± 1.00 | K | NIST |
| Tboil | 365.05 ± 0.40 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 364.65 ± 2.00 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tc | 539.77 | K | Relay (1.0) Calculated Property |
| Tfus | 146.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.11; 260.82] | J/mol×K | [359.32; 526.83] |
|
| Cp,gas | 194.11 | J/mol×K | 359.32 | Joback Calculated Property |
| Cp,gas | 206.28 | J/mol×K | 387.24 | Joback Calculated Property |
| Cp,gas | 218.01 | J/mol×K | 415.16 | Joback Calculated Property |
| Cp,gas | 229.33 | J/mol×K | 443.07 | Joback Calculated Property |
| Cp,gas | 240.23 | J/mol×K | 470.99 | Joback Calculated Property |
| Cp,gas | 250.72 | J/mol×K | 498.91 | Joback Calculated Property |
| Cp,gas | 260.82 | J/mol×K | 526.83 | Joback Calculated Property |
| η | [0.0002345; 0.0099972] | Pa×s | [153.65; 359.32] |
|
| η | 0.0099972 | Pa×s | 153.65 | Joback Calculated Property |
| η | 0.0030235 | Pa×s | 187.93 | Joback Calculated Property |
| η | 0.0013225 | Pa×s | 222.21 | Joback Calculated Property |
| η | 0.0007215 | Pa×s | 256.49 | Joback Calculated Property |
| η | 0.0004541 | Pa×s | 290.76 | Joback Calculated Property |
| η | 0.0003151 | Pa×s | 325.04 | Joback Calculated Property |
| η | 0.0002345 | Pa×s | 359.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(+)-3-methylhexane.
Sources
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