- InChI
- InChI=1S/C13H24/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h11-13H,2-10H2,1H3/t11?,12-,13-/m1/s1
- InChI Key
- HIXIFRGJVIZERN-VFRRUGBOSA-N
- Formula
- C13H24
- SMILES
- CCCC1CCCC2CCCCC12
- 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 | 0.3398 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.393 | Crippen Calculated Property | |
| McVol | 172.310 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | 1340.00 | NIST | |
| Tboil | 514.06 | K | Relay (1.0) Calculated Property |
| Tc | 738.94 | K | Relay (1.0) Calculated Property |
| Tfus | 227.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.612 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.07; 663.26] | 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 | -1.23958e+02 | |||
| Coefficient B | 1.47572e+00 | |||
| Coefficient C | -8.82800e-04 | |||
| Coefficient D | 1.94300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 217.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 296.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 366.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 428.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 483.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 530.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 571.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 607.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 637.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 663.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037366; 0.0004092] | Pa×s | [253.83; 514.24] |
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 | -9.95718e+00 | |||
| Coefficient B | 1.10863e+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. | 253.83 | |||
| Temperature range, max. | 514.24 | |||
| η | 0.0037366 | Pa×s | 253.83 | Calculated Property |
| η | 0.0023899 | Pa×s | 282.76 | Calculated Property |
| η | 0.0016608 | Pa×s | 311.70 | Calculated Property |
| η | 0.0012278 | Pa×s | 340.63 | Calculated Property |
| η | 0.0009516 | Pa×s | 369.57 | Calculated Property |
| η | 0.0007653 | Pa×s | 398.50 | Calculated Property |
| η | 0.0006340 | Pa×s | 427.44 | Calculated Property |
| η | 0.0005378 | Pa×s | 456.37 | Calculated Property |
| η | 0.0004653 | Pa×s | 485.30 | Calculated Property |
| η | 0.0004092 | Pa×s | 514.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propyldecalin, trans.
Sources
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