- InChI
- InChI=1S/C13H26/c1-3-5-8-12-10-7-11-13(12)9-6-4-2/h12-13H,3-11H2,1-2H3
- InChI Key
- XQUKCZAAJLJJPJ-UHFFFAOYSA-N
- Formula
- C13H26
- SMILES
- CCCCC1CCCC1CCCC
- Molecular Weight1
- 182.35
- CAS
- 62199-52-4
- 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 | 0.4643 | Relay (1.0) Calculated Property | |
| ΔfG° | 87.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.783 | Crippen Calculated Property | |
| McVol | 183.170 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | [1402.00; 1402.00] |
|
|
| Inp | 1402.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Tboil | 506.33 | K | Relay (1.0) Calculated Property |
| Tc | 693.42 | K | Relay (1.0) Calculated Property |
| Tfus | 208.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.30; 679.97] | 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 | -6.34740e+01 | |||
| Coefficient B | 1.34404e+00 | |||
| Coefficient C | -7.55400e-04 | |||
| Coefficient D | 1.54800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 324.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 390.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 449.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 502.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 548.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 588.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 623.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 653.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 679.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037361; 0.0003211] | Pa×s | [242.93; 483.66] |
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 | -1.05201e+01 | |||
| Coefficient B | 1.19773e+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. | 242.93 | |||
| Temperature range, max. | 483.66 | |||
| η | 0.0037361 | Pa×s | 242.93 | Calculated Property |
| η | 0.0022911 | Pa×s | 269.68 | Calculated Property |
| η | 0.0015346 | Pa×s | 296.43 | Calculated Property |
| η | 0.0010984 | Pa×s | 323.17 | Calculated Property |
| η | 0.0008274 | Pa×s | 349.92 | Calculated Property |
| η | 0.0006489 | Pa×s | 376.67 | Calculated Property |
| η | 0.0005255 | Pa×s | 403.42 | Calculated Property |
| η | 0.0004369 | Pa×s | 430.16 | Calculated Property |
| η | 0.0003712 | Pa×s | 456.91 | Calculated Property |
| η | 0.0003211 | Pa×s | 483.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1,2-dibutyl-.
Sources
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