- InChI
- InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h2,4-11H2,1,3H3
- InChI Key
- SJVKHZYVCVKEGM-UHFFFAOYSA-N
- Formula
- C12H24
- SMILES
- C=C(C)CCCCCCCCC
- Molecular Weight1
- 168.32
- CAS
- 18516-37-5
- Other Names
-
- 2-Methyl-1-undecene
- 2-methylundec-1-ene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5125 | ChemSep v8.3 pure component data Compiled value | |
| ΔfG° | 125.00 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | 6.19 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 24.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.703 | Crippen Calculated Property | |
| McVol | 175.640 | ml/mol | McGowan Calculated Property |
| Pc | 1778.66 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [1185.00; 1186.00] |
|
|
| Inp | 1185.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Tboil | 484.75 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 657.91 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 233.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| UQi | 7.00 | ChemSep v8.3 pure component data Compiled value | |
| URi | 8.31 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.684 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2222890 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.22 | ChemSep v8.3 pure component data Compiled value |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.32; 705.85] | J/mol×K | [197.37; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.45641e+02 | |||
| Coefficient B | -4.74303e+02 | |||
| Coefficient C | 6.42068e+00 | |||
| Coefficient D | 2.95521e-04 | |||
| Coefficient E | -9.75354e-08 | |||
| Temperature range, min. | 197.37 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 204.32 | J/mol×K | 197.37 | Calculated Property |
| Cp,gas | 313.64 | J/mol×K | 342.11 | Calculated Property |
| Cp,gas | 407.34 | J/mol×K | 486.85 | Calculated Property |
| Cp,gas | 481.76 | J/mol×K | 631.58 | Calculated Property |
| Cp,gas | 541.22 | J/mol×K | 776.32 | Calculated Property |
| Cp,gas | 589.35 | J/mol×K | 921.06 | Calculated Property |
| Cp,gas | 628.55 | J/mol×K | 1065.79 | Calculated Property |
| Cp,gas | 660.39 | J/mol×K | 1210.53 | Calculated Property |
| Cp,gas | 685.91 | J/mol×K | 1355.26 | Calculated Property |
| Cp,gas | 705.85 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [359.41; 510.06] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48178e+01 | |||
| Coefficient B | -4.14198e+03 | |||
| Coefficient C | -7.43540e+01 | |||
| Temperature range, min. | 359.41 | |||
| Temperature range, max. | 510.06 | |||
| Pvap | 1.33 | kPa | 359.41 | Calculated Property |
| Pvap | 2.98 | kPa | 376.15 | Calculated Property |
| Pvap | 6.14 | kPa | 392.89 | Calculated Property |
| Pvap | 11.75 | kPa | 409.63 | Calculated Property |
| Pvap | 21.14 | kPa | 426.37 | Calculated Property |
| Pvap | 36.07 | kPa | 443.10 | Calculated Property |
| Pvap | 58.74 | kPa | 459.84 | Calculated Property |
| Pvap | 91.86 | kPa | 476.58 | Calculated Property |
| Pvap | 138.61 | kPa | 493.32 | Calculated Property |
| Pvap | 202.64 | kPa | 510.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Undecene, 2-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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