- InChI
- InChI=1S/3C4H8/c3*1-4(2)3/h3*1H2,2-3H3
- InChI Key
- ZGWNHIRGFLHURN-UHFFFAOYSA-N
- Formula
- C12H24
- SMILES
- C=C(C)C.C=C(C)C.C=C(C)C
- Molecular Weight1
- 168.32
- CAS
- 7756-94-7
- Other Names
-
- Triisobutylene
- 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).
- 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 | 0.1960 | Relay (1.0) Calculated Property | |
| ΔfG° | 78.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.747 | Crippen Calculated Property | |
| McVol | 188.760 | ml/mol | McGowan Calculated Property |
| Pc | 1728.90 | kPa | Joback Calculated Property |
| Tboil | 446.15 | K | Relay (1.0) Calculated Property |
| Tc | 570.20 | K | Relay (1.0) Calculated Property |
| Tfus | 271.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.14; 616.59] | 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 | 6.55700e+01 | |||
| Coefficient B | 6.71220e-01 | |||
| Coefficient C | 1.25000e-04 | |||
| Coefficient D | -2.45200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 253.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 307.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 360.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 411.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 458.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 501.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 539.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 571.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 597.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 616.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.35; 100.97] | kPa | [329.70; 452.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40419e+01 | |||
| Coefficient B | -3.67373e+03 | |||
| Coefficient C | -6.23000e+01 | |||
| Reference | Stevens, 1943 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 329.70 | |||
| Temperature range, max. | 452.00 | |||
| Pvap | 1.35 | kPa | 329.70 | Calculated Property |
| Pvap | 2.63 | kPa | 343.29 | Calculated Property |
| Pvap | 4.81 | kPa | 356.88 | Calculated Property |
| Pvap | 8.34 | kPa | 370.47 | Calculated Property |
| Pvap | 13.79 | kPa | 384.06 | Calculated Property |
| Pvap | 21.91 | kPa | 397.64 | Calculated Property |
| Pvap | 33.56 | kPa | 411.23 | Calculated Property |
| Pvap | 49.81 | kPa | 424.82 | Calculated Property |
| Pvap | 71.83 | kPa | 438.41 | Calculated Property |
| Pvap | 100.97 | kPa | 452.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpropene, trimers.
Sources
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