- InChI
- InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3
- InChI Key
- FMAMSYPJXSEYSW-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=CCC=CCC
- Molecular Weight1
- 96.17
- CAS
- 5675-22-9
- 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).
- 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 | 0.1898 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | [366.23; 373.90] | K |
|
| Tboil | 366.23 ± 0.60 | K | NIST |
| Tboil | 373.90 ± 5.00 | K | NIST |
| Tc | 537.97 | K | Relay (1.0) Calculated Property |
| Tfus | 157.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.374 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.17; 321.37] | 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 | -2.06480e+01 | |||
| Coefficient B | 6.68820e-01 | |||
| Coefficient C | -4.63700e-04 | |||
| Coefficient D | 1.36900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 163.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 193.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 219.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 242.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 262.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 279.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 294.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 308.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 321.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037899; 0.0001710] | Pa×s | [161.81; 375.65] |
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 | -1.10179e+01 | |||
| Coefficient B | 8.80640e+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. | 161.81 | |||
| Temperature range, max. | 375.65 | |||
| η | 0.0037899 | Pa×s | 161.81 | Calculated Property |
| η | 0.0018879 | Pa×s | 185.57 | Calculated Property |
| η | 0.0011017 | Pa×s | 209.33 | Calculated Property |
| η | 0.0007175 | Pa×s | 233.09 | Calculated Property |
| η | 0.0005059 | Pa×s | 256.85 | Calculated Property |
| η | 0.0003784 | Pa×s | 280.61 | Calculated Property |
| η | 0.0002962 | Pa×s | 304.37 | Calculated Property |
| η | 0.0002402 | Pa×s | 328.13 | Calculated Property |
| η | 0.0002004 | Pa×s | 351.89 | Calculated Property |
| η | 0.0001710 | Pa×s | 375.65 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [274.42; 388.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55469e+01 | |||
| Coefficient B | -3.53223e+03 | |||
| Coefficient C | -4.29400e+01 | |||
| Temperature range, min. | 274.42 | |||
| Temperature range, max. | 388.04 | |||
| Pvap | 1.33 | kPa | 274.42 | Calculated Property |
| Pvap | 2.94 | kPa | 287.04 | Calculated Property |
| Pvap | 5.98 | kPa | 299.67 | Calculated Property |
| Pvap | 11.39 | kPa | 312.29 | Calculated Property |
| Pvap | 20.50 | kPa | 324.92 | Calculated Property |
| Pvap | 35.06 | kPa | 337.54 | Calculated Property |
| Pvap | 57.38 | kPa | 350.17 | Calculated Property |
| Pvap | 90.34 | kPa | 362.79 | Calculated Property |
| Pvap | 137.40 | kPa | 375.42 | Calculated Property |
| Pvap | 202.66 | kPa | 388.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Heptadiene.
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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