- InChI
- InChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3
- InChI Key
- RLXNRBDYXGEREA-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CCCCCCCC1C=CCC1
- Molecular Weight1
- 166.30
- Other Names
-
- 3-heptyl-1-cyclopentene
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 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 | 0.4448 | Relay (1.0) Calculated Property | |
| ΔfG° | 116.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 164.780 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | 1214.00 | NIST | |
| Ip | [1326.90; 1359.00] |
|
|
| Ip | 1338.00 | NIST | |
| Ip | 1346.00 | NIST | |
| Ip | 1359.00 | NIST | |
| Ip | 1327.00 | NIST | |
| Ip | 1335.00 | NIST | |
| Ip | 1326.90 | NIST | |
| Ip | 1338.00 | NIST | |
| Tboil | 488.80 | K | Relay (1.0) Calculated Property |
| Tc | 670.93 | K | Relay (1.0) Calculated Property |
| Tfus | 217.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.35; 590.42] | 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 | -6.07240e+01 | |||
| Coefficient B | 1.21952e+00 | |||
| Coefficient C | -7.43680e-04 | |||
| Coefficient D | 1.75300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 343.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 439.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 478.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 512.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 542.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 568.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 590.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043175; 0.0003046] | Pa×s | [236.66; 473.11] |
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 | -1.07502e+01 | |||
| Coefficient B | 1.25550e+03 | |||
| 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. | 236.66 | |||
| Temperature range, max. | 473.11 | |||
| η | 0.0043175 | Pa×s | 236.66 | Calculated Property |
| η | 0.0025411 | Pa×s | 262.93 | Calculated Property |
| η | 0.0016468 | Pa×s | 289.20 | Calculated Property |
| η | 0.0011472 | Pa×s | 315.48 | Calculated Property |
| η | 0.0008448 | Pa×s | 341.75 | Calculated Property |
| η | 0.0006499 | Pa×s | 368.02 | Calculated Property |
| η | 0.0005178 | Pa×s | 394.29 | Calculated Property |
| η | 0.0004244 | Pa×s | 420.56 | Calculated Property |
| η | 0.0003561 | Pa×s | 446.83 | Calculated Property |
| η | 0.0003046 | Pa×s | 473.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentene, 3-heptyl.
Sources
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