- InChI
- InChI=1S/C12H14/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,11H,2,4,6-8H2
- InChI Key
- BDAGIAXQQBRORQ-UHFFFAOYSA-N
- Formula
- C12H14
- SMILES
- c1cc2c3c(c1)CCC3CCC2
- Molecular Weight1
- 158.24
- CAS
- 480-72-8
- Other Names
-
- Acenaphthene, 2a,3,4,5-tetrahydro-
- (1-4)-Tetrahydroacenaphthene
- Tetraphthen
- Tetraphthene
- 2a,3,4,5-Tetrahydroacenaphthene
- Tetrahydroacenaphthene
- 1,2,2a,3,4,5-Hexahydroacenaphthylene
- 2a,3,4,5-Tetrahydroacenaphthalene
- 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 | 0.3840 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 58.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 134.460 | ml/mol | McGowan Calculated Property |
| Pc | 3170.40 | kPa | Joback Calculated Property |
| Inp | [232.70; 1378.00] |
|
|
| Inp | 1360.00 | NIST | |
| Inp | 1378.00 | NIST | |
| Inp | 1359.80 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 232.70 | NIST | |
| Inp | 1359.80 | NIST | |
| Inp | 232.70 | NIST | |
| Tboil | 532.50 | K | Relay (1.0) Calculated Property |
| Tc | 783.08 | K | Relay (1.0) Calculated Property |
| Tfus | 280.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.74; 466.63] | 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 | -1.19750e+02 | |||
| Coefficient B | 1.27420e+00 | |||
| Coefficient C | -1.02192e-03 | |||
| Coefficient D | 3.34100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 347.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 378.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 404.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 427.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 466.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016752; 0.0007858] | Pa×s | [316.58; 534.80] |
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 | -8.24686e+00 | |||
| Coefficient B | 5.87270e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 316.58 | |||
| Temperature range, max. | 534.80 | |||
| η | 0.0016752 | Pa×s | 316.58 | Calculated Property |
| η | 0.0014681 | Pa×s | 340.83 | Calculated Property |
| η | 0.0013093 | Pa×s | 365.07 | Calculated Property |
| η | 0.0011845 | Pa×s | 389.32 | Calculated Property |
| η | 0.0010843 | Pa×s | 413.57 | Calculated Property |
| η | 0.0010023 | Pa×s | 437.82 | Calculated Property |
| η | 0.0009341 | Pa×s | 462.06 | Calculated Property |
| η | 0.0008768 | Pa×s | 486.31 | Calculated Property |
| η | 0.0008279 | Pa×s | 510.56 | Calculated Property |
| η | 0.0007858 | Pa×s | 534.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Acenaphthylene, 1,2,2a,3,4,5-hexahydro-.
Sources
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