- InChI
- InChI=1S/C7H10/c1-4-7(5-2)6-3/h4-7H,1-3H2
- InChI Key
- HEKRPWJODWSOQV-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- C=CC(C=C)C=C
- Molecular Weight1
- 94.16
- Other Names
-
- 1,4-Pentadiene, 3-vinyl-
- (CH2=CH)3CH
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.1199 | Relay (1.0) Calculated Property | |
| ΔfG° | 269.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 185.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.10; 9.50] | eV |
|
| IE | 9.10 | eV | NIST |
| IE | 9.50 | eV | NIST |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.161 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 352.15 | K | Relay (1.0) Calculated Property |
| Tc | 516.04 | K | Relay (1.0) Calculated Property |
| Tfus | 192.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.339 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.24; 295.47] | 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 | -1.41300e+01 | |||
| Coefficient B | 6.14700e-01 | |||
| Coefficient C | -4.28900e-04 | |||
| Coefficient D | 1.23800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 182.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 205.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 226.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 243.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 259.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 284.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 295.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047915; 0.0001813] | Pa×s | [148.37; 369.43] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08130e+01 | |||
| Coefficient B | 8.11900e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 148.37 | |||
| Temperature range, max. | 369.43 | |||
| η | 0.0047915 | Pa×s | 148.37 | Calculated Property |
| η | 0.0022025 | Pa×s | 172.93 | Calculated Property |
| η | 0.0012284 | Pa×s | 197.50 | Calculated Property |
| η | 0.0007796 | Pa×s | 222.06 | Calculated Property |
| η | 0.0005416 | Pa×s | 246.62 | Calculated Property |
| η | 0.0004020 | Pa×s | 271.18 | Calculated Property |
| η | 0.0003135 | Pa×s | 295.75 | Calculated Property |
| η | 0.0002540 | Pa×s | 320.31 | Calculated Property |
| η | 0.0002120 | Pa×s | 344.87 | Calculated Property |
| η | 0.0001813 | Pa×s | 369.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Pentadiene, 3-ethenyl-.
Sources
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