- InChI
- InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h5,12H,2,4,6-11H2,1,3H3
- InChI Key
- LGTWOHHRJHHWCO-UHFFFAOYSA-N
- Formula
- C12H24
- SMILES
- C=CC(C)CCCCCCCC
- Molecular Weight1
- 168.32
- CAS
- ---
- 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).
- Pvap : Vapor 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 | 0.4911 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.559 | Crippen Calculated Property | |
| McVol | 175.640 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Inp | 1144.00 | NIST | |
| Tboil | 470.32 | K | Relay (1.0) Calculated Property |
| Tc | 635.20 | K | Relay (1.0) Calculated Property |
| Tfus | 221.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.92; 610.45] | 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 | -1.26930e+01 | |||
| Coefficient B | 1.12974e+00 | |||
| Coefficient C | -6.55100e-04 | |||
| Coefficient D | 1.48500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 311.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 366.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 415.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 459.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 497.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 531.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 561.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 587.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 610.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0089547; 0.0002398] | Pa×s | [208.24; 446.41] |
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 | -1.15011e+01 | |||
| Coefficient B | 1.41302e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 208.24 | |||
| Temperature range, max. | 446.41 | |||
| η | 0.0089547 | Pa×s | 208.24 | Calculated Property |
| η | 0.0041666 | Pa×s | 234.70 | Calculated Property |
| η | 0.0022639 | Pa×s | 261.17 | Calculated Property |
| η | 0.0013761 | Pa×s | 287.63 | Calculated Property |
| η | 0.0009097 | Pa×s | 314.09 | Calculated Property |
| η | 0.0006413 | Pa×s | 340.56 | Calculated Property |
| η | 0.0004755 | Pa×s | 367.02 | Calculated Property |
| η | 0.0003670 | Pa×s | 393.48 | Calculated Property |
| η | 0.0002927 | Pa×s | 419.95 | Calculated Property |
| η | 0.0002398 | Pa×s | 446.41 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [368.12; 506.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58798e+01 | |||
| Coefficient B | -4.55444e+03 | |||
| Coefficient C | -7.60220e+01 | |||
| Temperature range, min. | 368.12 | |||
| Temperature range, max. | 506.98 | |||
| Pvap | 1.33 | kPa | 368.12 | Calculated Property |
| Pvap | 2.91 | kPa | 383.55 | Calculated Property |
| Pvap | 5.91 | kPa | 398.98 | Calculated Property |
| Pvap | 11.25 | kPa | 414.41 | Calculated Property |
| Pvap | 20.23 | kPa | 429.84 | Calculated Property |
| Pvap | 34.65 | kPa | 445.26 | Calculated Property |
| Pvap | 56.82 | kPa | 460.69 | Calculated Property |
| Pvap | 89.70 | kPa | 476.12 | Calculated Property |
| Pvap | 136.89 | kPa | 491.55 | Calculated Property |
| Pvap | 202.67 | kPa | 506.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-1-undecene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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