- InChI
- InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3
- InChI Key
- JTXUVHFRSRTSAT-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- C=CC(C)CC(C)(C)C
- Molecular Weight1
- 126.24
- CAS
- 4316-65-8
- Other Names
-
- 3,5,5-Trimethyl-1-hexene
- 3,5,5-Trimethylhexene-1
- 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 | 0.2784 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.245 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Inp | [763.00; 795.00] |
|
|
| Inp | 765.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 766.50 | NIST | |
| Inp | 767.60 | NIST | |
| Inp | 768.70 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 771.20 | NIST | |
| Inp | 772.70 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 767.40 | NIST | |
| Inp | 768.80 | NIST | |
| Inp | 767.90 | NIST | |
| Inp | 771.90 | NIST | |
| Inp | 773.80 | NIST | |
| Inp | 765.30 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 767.90 | NIST | |
| Inp | 768.80 | NIST | |
| Inp | 769.80 | NIST | |
| Inp | Outlier 795.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 767.00 | NIST | |
| Tboil | 392.60 ± 5.00 | K | NIST |
| Tc | 550.29 | K | Relay (1.0) Calculated Property |
| Tfus | 166.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.82; 457.14] | 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 | -3.44390e+01 | |||
| Coefficient B | 9.70580e-01 | |||
| Coefficient C | -6.63700e-04 | |||
| Coefficient D | 1.84700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 184.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 314.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 347.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 375.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 400.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 421.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 440.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 457.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0188168; 0.0002369] | Pa×s | [176.85; 405.91] |
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 | -1.17258e+01 | |||
| Coefficient B | 1.37108e+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. | 176.85 | |||
| Temperature range, max. | 405.91 | |||
| η | 0.0188168 | Pa×s | 176.85 | Calculated Property |
| η | 0.0070950 | Pa×s | 202.30 | Calculated Property |
| η | 0.0033269 | Pa×s | 227.75 | Calculated Property |
| η | 0.0018165 | Pa×s | 253.20 | Calculated Property |
| η | 0.0011078 | Pa×s | 278.65 | Calculated Property |
| η | 0.0007339 | Pa×s | 304.10 | Calculated Property |
| η | 0.0005181 | Pa×s | 329.55 | Calculated Property |
| η | 0.0003845 | Pa×s | 355.01 | Calculated Property |
| η | 0.0002969 | Pa×s | 380.46 | Calculated Property |
| η | 0.0002369 | Pa×s | 405.91 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexene, 3,5,5-trimethyl-.
Sources
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