- InChI
- InChI=1S/C9H18/c1-5-6-7-9(4)8(2)3/h5-7H2,1-4H3
- InChI Key
- PTUNZAOKLBTUBF-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CCCCC(C)=C(C)C
- Molecular Weight1
- 126.24
- CAS
- 3074-64-4
- Other Names
-
- 2-Heptene, 2,3-dimethyl-
- n-C4H9C(CH3)=C(CH3)2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 88.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.75 | kJ/mol | Joback Calculated Property |
| IE | 8.14 ± 0.01 | eV | NIST |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | [876.00; 879.00] |
|
|
| Inp | 876.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 876.00 | NIST | |
| Tboil | [418.30; 419.00] | K |
|
| Tboil | 418.30 ± 0.40 | K | NIST |
| Tboil | 419.00 ± 2.00 | K | NIST |
| Tc | 587.07 | K | Joback Calculated Property |
| Tfus | 164.70 ± 2.00 | K | NIST |
| Vc | 0.521 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.99; 335.71] | J/mol×K | [409.24; 587.07] |
|
| Cp,gas | 257.99 | J/mol×K | 409.24 | Joback Calculated Property |
| Cp,gas | 272.45 | J/mol×K | 438.88 | Joback Calculated Property |
| Cp,gas | 286.28 | J/mol×K | 468.52 | Joback Calculated Property |
| Cp,gas | 299.49 | J/mol×K | 498.15 | Joback Calculated Property |
| Cp,gas | 312.12 | J/mol×K | 527.79 | Joback Calculated Property |
| Cp,gas | 324.18 | J/mol×K | 557.43 | Joback Calculated Property |
| Cp,gas | 335.71 | J/mol×K | 587.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethyl-2-heptene.
Sources
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