- InChI
- InChI=1S/C11H24/c1-7-9(2)8-10(3)11(4,5)6/h9-10H,7-8H2,1-6H3
- InChI Key
- KXNFNEAZTWCHIL-UHFFFAOYSA-N
- Formula
- C11H24
- SMILES
- CCC(C)CC(C)C(C)(C)C
- Molecular Weight1
- 156.31
- CAS
- 61868-42-6
- 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 | 0.3766 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.105 | Crippen Calculated Property | |
| McVol | 165.850 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Tboil | 442.70 | K | Relay (1.0) Calculated Property |
| Tc | 617.97 | K | Relay (1.0) Calculated Property |
| Tfus | 171.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.74; 589.37] | 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 | -3.49480e+01 | |||
| Coefficient B | 1.18652e+00 | |||
| Coefficient C | -7.52800e-04 | |||
| Coefficient D | 1.90600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 299.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 354.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 402.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 445.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 482.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 514.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 543.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 567.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 589.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0387426; 0.0002273] | Pa×s | [186.15; 438.39] |
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 | -1.21811e+01 | |||
| Coefficient B | 1.66238e+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. | 186.15 | |||
| Temperature range, max. | 438.39 | |||
| η | 0.0387426 | Pa×s | 186.15 | Calculated Property |
| η | 0.0120413 | Pa×s | 214.18 | Calculated Property |
| η | 0.0049047 | Pa×s | 242.20 | Calculated Property |
| η | 0.0024069 | Pa×s | 270.23 | Calculated Property |
| η | 0.0013502 | Pa×s | 298.26 | Calculated Property |
| η | 0.0008365 | Pa×s | 326.28 | Calculated Property |
| η | 0.0005591 | Pa×s | 354.31 | Calculated Property |
| η | 0.0003964 | Pa×s | 382.34 | Calculated Property |
| η | 0.0002945 | Pa×s | 410.36 | Calculated Property |
| η | 0.0002273 | Pa×s | 438.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,2,3,5-tetramethyl-.
Sources
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