- InChI
- InChI=1S/4C4H8/c4*1-4(2)3/h4*1H2,2-3H3
- InChI Key
- PFCCSTRBUBCYSK-UHFFFAOYSA-N
- Formula
- C16H32
- SMILES
-
C=C(C)C.C=C(C)C.C=C(C)C.C=C(C)
C - Molecular Weight1
- 224.43
- CAS
- 15220-85-6
- 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 | 0.1975 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.330 | Crippen Calculated Property | |
| McVol | 251.680 | ml/mol | McGowan Calculated Property |
| Pc | 1248.61 | kPa | Joback Calculated Property |
| Tboil | 515.42 | K | Relay (1.0) Calculated Property |
| Tc | 611.72 | K | Relay (1.0) Calculated Property |
| Tfus | 293.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 54.50 | kJ/mol | 410.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.37; 826.43] | 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 | 1.00070e+02 | |||
| Coefficient B | 8.24960e-01 | |||
| Coefficient C | 2.97000e-04 | |||
| Coefficient D | -3.95600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 339.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 411.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 482.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 549.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 613.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 671.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 723.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 767.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 802.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 826.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.34; 13.34] | kPa | [381.70; 440.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.77643e+01 | |||
| Coefficient B | -6.79995e+03 | |||
| Coefficient C | 7.45500e+00 | |||
| Reference | Stevens, 1943 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 381.70 | |||
| Temperature range, max. | 440.70 | |||
| Pvap | 1.34 | kPa | 381.70 | Calculated Property |
| Pvap | 1.79 | kPa | 388.26 | Calculated Property |
| Pvap | 2.36 | kPa | 394.81 | Calculated Property |
| Pvap | 3.10 | kPa | 401.37 | Calculated Property |
| Pvap | 4.03 | kPa | 407.92 | Calculated Property |
| Pvap | 5.20 | kPa | 414.48 | Calculated Property |
| Pvap | 6.65 | kPa | 421.03 | Calculated Property |
| Pvap | 8.45 | kPa | 427.59 | Calculated Property |
| Pvap | 10.65 | kPa | 434.14 | Calculated Property |
| Pvap | 13.34 | kPa | 440.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetraisobutylene.
Sources
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