- InChI
- InChI=1S/C14H28/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h10H,1-9H3/b11-10+
- InChI Key
- RVZGQICOUDJTHV-ZHACJKMWSA-N
- Formula
- C14H28
- SMILES
- CC(=CC(C)(C)C(C)(C)C)C(C)(C)C
- Molecular Weight1
- 196.37
- CAS
- 54845-26-0
- Other Names
-
- 2,2,3,5,5,6,6-Heptamethyl-3-heptene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.3407 | Relay (... Calculated Property | |
| ΔfG° | 147.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -6.06 | Relay (... Calculated Property | |
| logPoct/wat | 5.051 | Crippen Calculated Property | |
| McVol | 203.820 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Tboil | 473.57 | K | Relay (... Calculated Property |
| Tc | 670.47 | K | Relay (... Calculated Property |
| Tfus | 283.64 | K | Relay (... Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.03; 609.15] | J/mol×K | [514.07; 713.84] | 
|
| Cp,gas | 496.03 | J/mol×K | 514.07 | Joback Calculated Property |
| Cp,gas | 518.17 | J/mol×K | 547.36 | Joback Calculated Property |
| Cp,gas | 538.87 | J/mol×K | 580.66 | Joback Calculated Property |
| Cp,gas | 558.23 | J/mol×K | 613.95 | Joback Calculated Property |
| Cp,gas | 576.33 | J/mol×K | 647.25 | Joback Calculated Property |
| Cp,gas | 593.27 | J/mol×K | 680.54 | Joback Calculated Property |
| Cp,gas | 609.15 | J/mol×K | 713.84 | Joback Calculated Property |
| ΔvapH | 51.20 | kJ/mol | 329.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [355.13; 561.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.21471e+01 | |||
| Coefficient B | -3.32578e+03 | |||
| Coefficient C | -7.46990e+01 | |||
| Temperature range, min. | 355.13 | |||
| Temperature range, max. | 561.24 | |||
| Pvap | 1.33 | kPa | 355.13 | Calculated Property |
| Pvap | 3.26 | kPa | 378.03 | Calculated Property |
| Pvap | 7.05 | kPa | 400.93 | Calculated Property |
| Pvap | 13.75 | kPa | 423.83 | Calculated Property |
| Pvap | 24.72 | kPa | 446.73 | Calculated Property |
| Pvap | 41.51 | kPa | 469.64 | Calculated Property |
| Pvap | 65.86 | kPa | 492.54 | Calculated Property |
| Pvap | 99.60 | kPa | 515.44 | Calculated Property |
| Pvap | 144.59 | kPa | 538.34 | Calculated Property |
| Pvap | 202.66 | kPa | 561.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptene, 2,2,3,5,5,6,6-heptamethyl-.
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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