- InChI
- InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+
- InChI Key
- NBUMCEJRJRRLCA-CSKARUKUSA-N
- Formula
- C12H24
- SMILES
- CC(=CC(C)(C)C)CC(C)(C)C
- Molecular Weight1
- 168.32
- CAS
- 123-48-8
- Other Names
-
- 2,2,4,6,6-Pentamethyl-3-heptene
- 2,2,4,6,6-Pentamethyl-3-heptene,c&t
- 2,2,4,6,6-Pentamethylheptene-3
- 2,2,4,6,6-pentamethylhept-3-ene
- 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).
- 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).
- 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° | 127.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.22 | Crippen Calculated Property | |
| logPoct/wat | 4.415 | Crippen Calculated Property | |
| McVol | 175.640 | ml/mol | McGowan Calculated Property |
| Pc | 1932.13 | kPa | Joback Calculated Property |
| Tboil | 453.70 ± 2.00 | K | NIST |
| Tc | 664.19 | K | Joback Calculated Property |
| Tfus | 210.80 | K | Joback Calculated Property |
| Vc | 0.666 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.23; 497.35] | J/mol×K | [471.54; 664.19] | 
|
| Cp,gas | 395.23 | J/mol×K | 471.54 | Joback Calculated Property |
| Cp,gas | 414.96 | J/mol×K | 503.65 | Joback Calculated Property |
| Cp,gas | 433.53 | J/mol×K | 535.76 | Joback Calculated Property |
| Cp,gas | 450.98 | J/mol×K | 567.87 | Joback Calculated Property |
| Cp,gas | 467.39 | J/mol×K | 599.98 | Joback Calculated Property |
| Cp,gas | 482.83 | J/mol×K | 632.09 | Joback Calculated Property |
| Cp,gas | 497.35 | J/mol×K | 664.19 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [340.46; 481.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50658e+01 | |||
| Coefficient B | -4.03714e+03 | |||
| Coefficient C | -6.72790e+01 | |||
| Temperature range, min. | 340.46 | |||
| Temperature range, max. | 481.16 | |||
| Pvap | 1.33 | kPa | 340.46 | Calculated Property |
| Pvap | 2.97 | kPa | 356.09 | Calculated Property |
| Pvap | 6.08 | kPa | 371.73 | Calculated Property |
| Pvap | 11.62 | kPa | 387.36 | Calculated Property |
| Pvap | 20.91 | kPa | 402.99 | Calculated Property |
| Pvap | 35.71 | kPa | 418.63 | Calculated Property |
| Pvap | 58.26 | kPa | 434.26 | Calculated Property |
| Pvap | 91.32 | kPa | 449.89 | Calculated Property |
| Pvap | 138.18 | kPa | 465.53 | Calculated Property |
| Pvap | 202.65 | kPa | 481.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptene, 2,2,4,6,6-pentamethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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