- InChI
- InChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h9-10H,1-8H2
- InChI Key
- LFAYMJXHGYUQNV-UHFFFAOYSA-N
- Formula
- C14H18
- SMILES
- c1c2c(cc3c1CCCC3)CCCC2
- Molecular Weight1
- 186.29
- CAS
- 1079-71-6
- Other Names
-
- 1,2,3,4,5,6,7,8-Octahydroanthracene
- Anthracene, octahydro-
- Octahydroanthracene
- s-Octahydroanthracene
- sym-Octahydroanthracene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| PAff | 845.40 | kJ/mol | NIST |
| BasG | 814.70 | kJ/mol | NIST |
| ΔcH°solid | -7962.10 ± 2.90 | kJ/mol | NIST |
| ΔfG° | 263.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.20 ± 3.20 | kJ/mol | NIST |
| ΔfH°solid | -119.50 ± 2.90 | kJ/mol | NIST |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [82.00; 82.30] | kJ/mol |
|
| ΔsubH° | 82.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 82.30 | kJ/mol | NIST |
| ΔsubH° | 82.30 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 51.81 | kJ/mol | Joback Calculated Property |
| IE | 7.86 ± 0.05 | eV | NIST |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| McVol | 162.640 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | [286.84; 1704.00] |
|
|
| Inp | 1645.00 | NIST | |
| Inp | 1689.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1694.10 | NIST | |
| Inp | 1694.10 | NIST | |
| Inp | 1680.20 | NIST | |
| Inp | 1694.10 | NIST | |
| Inp | 1703.20 | NIST | |
| Inp | 1680.20 | NIST | |
| Inp | 1694.10 | NIST | |
| Inp | 1703.20 | NIST | |
| Inp | 1694.10 | NIST | |
| Inp | 1694.10 | NIST | |
| Inp | 1704.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 287.07 | NIST | |
| Inp | 287.69 | NIST | |
| Inp | 286.84 | NIST | |
| Inp | 287.69 | NIST | |
| Inp | 287.07 | NIST | |
| Inp | 286.84 | NIST | |
| I | 2153.00 | NIST | |
| Tboil | 567.20 | K | NIST |
| Tc | 836.40 | K | Joback Calculated Property |
| Tfus | [346.00; 347.00] | K |
|
| Tfus | 346.00 ± 1.00 | K | NIST |
| Tfus | 347.00 ± 6.00 | K | NIST |
| Tfus | 346.40 ± 1.00 | K | NIST |
| Tfus | 346.15 ± 1.50 | K | NIST |
| Tfus | 347.00 ± 6.00 | K | NIST |
| Ttriple | 345.39 ± 0.01 | K | NIST |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.67; 515.95] | J/mol×K | [592.70; 836.40] |
|
| Cp,gas | 415.67 | J/mol×K | 592.70 | Joback Calculated Property |
| Cp,gas | 435.72 | J/mol×K | 633.32 | Joback Calculated Property |
| Cp,gas | 454.28 | J/mol×K | 673.93 | Joback Calculated Property |
| Cp,gas | 471.46 | J/mol×K | 714.55 | Joback Calculated Property |
| Cp,gas | 487.38 | J/mol×K | 755.17 | Joback Calculated Property |
| Cp,gas | 502.17 | J/mol×K | 795.78 | Joback Calculated Property |
| Cp,gas | 515.95 | J/mol×K | 836.40 | Joback Calculated Property |
| Cp,solid | 327.60 | J/mol×K | 327.00 | NIST |
| η | [0.0004287; 0.0022319] | Pa×s | [348.84; 592.70] |
|
| η | 0.0022319 | Pa×s | 348.84 | Joback Calculated Property |
| η | 0.0014688 | Pa×s | 389.48 | Joback Calculated Property |
| η | 0.0010461 | Pa×s | 430.13 | Joback Calculated Property |
| η | 0.0007900 | Pa×s | 470.77 | Joback Calculated Property |
| η | 0.0006239 | Pa×s | 511.41 | Joback Calculated Property |
| η | 0.0005101 | Pa×s | 552.06 | Joback Calculated Property |
| η | 0.0004287 | Pa×s | 592.70 | Joback Calculated Property |
| ΔfusH | [2.51; 18.34] | kJ/mol | [331.40; 346.00] |
|
| ΔfusH | 2.51 | kJ/mol | 331.40 | NIST |
| ΔfusH | 18.34 | kJ/mol | 345.40 | NIST |
| ΔfusH | 18.34 | kJ/mol | 345.40 | NIST |
| ΔfusH | 17.91 | kJ/mol | 346.00 | NIST |
| ΔvapH | 45.60 | kJ/mol | 467.50 | NIST |
| ΔfusS | [7.59; 53.10] | J/mol×K | [331.40; 346.00] |
|
| ΔfusS | 7.59 | J/mol×K | 331.40 | NIST |
| ΔfusS | 53.10 | J/mol×K | 345.40 | NIST |
| ΔfusS | 51.80 | J/mol×K | 346.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 440.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [429.86; 549.63] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.18648e+01 | |||
| Coefficient B | -8.51461e+03 | |||
| Coefficient C | -3.52500e+01 | |||
| Temperature range, min. | 429.86 | |||
| Temperature range, max. | 549.63 | |||
| Pvap | 1.33 | kPa | 429.86 | Calculated Property |
| Pvap | 2.70 | kPa | 443.17 | Calculated Property |
| Pvap | 5.21 | kPa | 456.48 | Calculated Property |
| Pvap | 9.68 | kPa | 469.78 | Calculated Property |
| Pvap | 17.33 | kPa | 483.09 | Calculated Property |
| Pvap | 29.99 | kPa | 496.40 | Calculated Property |
| Pvap | 50.34 | kPa | 509.71 | Calculated Property |
| Pvap | 82.14 | kPa | 523.01 | Calculated Property |
| Pvap | 130.58 | kPa | 536.32 | Calculated Property |
| Pvap | 202.68 | kPa | 549.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Anthracene, 1,2,3,4,5,6,7,8-octahydro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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