- InChI
- InChI=1S/C13H24/c1-2-3-4-5-6-12-10-13(12)9-11-7-8-11/h11-13H,2-10H2,1H3/t12-,13-/m0/s1
- InChI Key
- DJQLKYQZYFUZRJ-STQMWFEESA-N
- Formula
- C13H24
- SMILES
- CCCCCCC1CC1CC1CC1
- Molecular Weight1
- 180.33
- 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.
- 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 | 0.5146 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.393 | Crippen Calculated Property | |
| McVol | 172.310 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [1264.80; 1264.80] |
|
|
| Inp | 1264.80 | NIST | |
| Inp | 1264.80 | NIST | |
| Tboil | 506.36 | K | Relay (1.0) Calculated Property |
| Tc | 712.04 | K | Relay (1.0) Calculated Property |
| Tfus | 223.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.64; 656.15] | 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 | -1.03474e+02 | |||
| Coefficient B | 1.51412e+00 | |||
| Coefficient C | -1.06840e-03 | |||
| Coefficient D | 3.13900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 378.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 436.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 485.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 529.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 566.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 599.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 629.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 656.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013484; 0.0008827] | Pa×s | [267.91; 482.66] |
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 | -7.56118e+00 | |||
| Coefficient B | 2.55150e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 267.91 | |||
| Temperature range, max. | 482.66 | |||
| η | 0.0013484 | Pa×s | 267.91 | Calculated Property |
| η | 0.0012474 | Pa×s | 291.77 | Calculated Property |
| η | 0.0011676 | Pa×s | 315.63 | Calculated Property |
| η | 0.0011031 | Pa×s | 339.49 | Calculated Property |
| η | 0.0010500 | Pa×s | 363.35 | Calculated Property |
| η | 0.0010055 | Pa×s | 387.22 | Calculated Property |
| η | 0.0009678 | Pa×s | 411.08 | Calculated Property |
| η | 0.0009354 | Pa×s | 434.94 | Calculated Property |
| η | 0.0009073 | Pa×s | 458.80 | Calculated Property |
| η | 0.0008827 | Pa×s | 482.66 | Calculated Property |
Similar Compounds
Find more compounds similar to (trans-2,3-Methylene)nonyl-cyclopropane.
Sources
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