- InChI
- InChI=1S/C12H22/c1-2-4-11-9-12(11)6-3-5-10-7-8-10/h10-12H,2-9H2,1H3/t11-,12-/m1/s1
- InChI Key
- CVXDKCAUIWVFCZ-VXGBXAGGSA-N
- Formula
- C12H22
- SMILES
- CCCC1CC1CCCC1CC1
- Molecular Weight1
- 166.30
- 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 | 0.4715 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 158.220 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [1168.10; 1171.20] |
|
|
| Inp | 1168.10 | NIST | |
| Inp | 1171.20 | NIST | |
| Tboil | 492.96 | K | Relay (1.0) Calculated Property |
| Tc | 699.41 | K | Relay (1.0) Calculated Property |
| Tfus | 215.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.43; 604.56] | 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 | -1.02565e+02 | |||
| Coefficient B | 1.41912e+00 | |||
| Coefficient C | -1.01400e-03 | |||
| Coefficient D | 3.02000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 400.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 447.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 487.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 521.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 552.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 579.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 604.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010963; 0.0008258] | Pa×s | [256.64; 468.01] |
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 | -7.44316e+00 | |||
| Coefficient B | 1.60990e+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. | 256.64 | |||
| Temperature range, max. | 468.01 | |||
| η | 0.0010963 | Pa×s | 256.64 | Calculated Property |
| η | 0.0010401 | Pa×s | 280.13 | Calculated Property |
| η | 0.0009949 | Pa×s | 303.61 | Calculated Property |
| η | 0.0009577 | Pa×s | 327.10 | Calculated Property |
| η | 0.0009266 | Pa×s | 350.58 | Calculated Property |
| η | 0.0009003 | Pa×s | 374.07 | Calculated Property |
| η | 0.0008777 | Pa×s | 397.55 | Calculated Property |
| η | 0.0008581 | Pa×s | 421.04 | Calculated Property |
| η | 0.0008409 | Pa×s | 444.53 | Calculated Property |
| η | 0.0008258 | Pa×s | 468.01 | Calculated Property |
Similar Compounds
Find more compounds similar to (trans-4,5-Methylene)octyl-cyclopropane.
Sources
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