- InChI
- InChI=1S/C7H10/c1-4-7(5-2)6-3/h4-6H,1-2H2,3H3
- InChI Key
- RUKCSZJSODAPHD-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- C=CC(C=C)=CC
- Molecular Weight1
- 94.16
- 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).
- 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 | 0.2456 | Relay (1.0) Calculated Property | |
| ΔfG° | 255.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 159.00 | kJ/mol | NIST |
| ΔfusH° | 10.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.305 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 3269.04 | kPa | Joback Calculated Property |
| Tboil | 381.51 | K | Relay (1.0) Calculated Property |
| Tc | 555.69 | K | Relay (1.0) Calculated Property |
| Tfus | 216.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.342 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.51; 292.59] | 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 | -2.33300e+01 | |||
| Coefficient B | 6.48720e-01 | |||
| Coefficient C | -4.88900e-04 | |||
| Coefficient D | 1.56100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 151.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 179.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 202.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 240.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 255.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 268.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 281.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 292.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethylidene-1,4-pentadiene.
Sources
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