- InChI
- InChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10H,1-8H2
- InChI Key
- YSZLFGZFQTTZIQ-UHFFFAOYSA-N
- Formula
- C14H18
- SMILES
- c1cc2c(c3c1CCCC3)CCCC2
- Molecular Weight1
- 186.29
- CAS
- 5325-97-3
- Other Names
-
- 1,2,3,4,5,6,7,8-0ctahydrophenanthrene
- 1,2,3,4,5,6,7,8-Octahydrophenanthrene
- Octahydrophenanthrene
- Octahydrophenanthrene, symm.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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.
- 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 |
|---|---|---|---|
| PAff | [838.90; 846.20] | kJ/mol |
|
| PAff | 846.20 | kJ/mol | NIST |
| PAff | 838.90 | kJ/mol | NIST |
| BasG | [812.10; 815.50] | kJ/mol |
|
| BasG | 815.50 | kJ/mol | NIST |
| BasG | 812.10 | kJ/mol | NIST |
| ΔfG° | 263.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 43.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.81 | kJ/mol | Joback Calculated Property |
| IE | [7.89; 8.79] | eV |
|
| IE | 7.89 ± 0.05 | eV | NIST |
| IE | 8.79 ± 0.02 | 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 | [291.40; 1765.00] |
|
|
| Inp | 1716.00 | NIST | |
| Inp | 1694.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1705.50 | NIST | |
| Inp | 1721.10 | NIST | |
| Inp | 1730.60 | NIST | |
| Inp | 1705.50 | NIST | |
| Inp | 1721.10 | NIST | |
| Inp | 1730.60 | NIST | |
| Inp | 1693.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1696.00 | NIST | |
| Inp | 292.30 | NIST | |
| Inp | 291.63 | NIST | |
| Inp | 292.03 | NIST | |
| Inp | 291.40 | NIST | |
| Inp | 292.03 | NIST | |
| Inp | 292.30 | NIST | |
| Inp | 1696.00 | NIST | |
| Tboil | 568.20 | K | NIST |
| Tc | 836.40 | K | Joback Calculated Property |
| Tfus | 348.84 | K | Joback Calculated Property |
| 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 |
| 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 |
| ΔvapH | 55.80 | kJ/mol | 486.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [433.70; 548.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.39396e+01 | |||
| Coefficient B | -1.00510e+04 | |||
| Coefficient C | -8.75000e+00 | |||
| Temperature range, min. | 433.70 | |||
| Temperature range, max. | 548.31 | |||
| Pvap | 1.33 | kPa | 433.70 | Calculated Property |
| Pvap | 2.65 | kPa | 446.43 | Calculated Property |
| Pvap | 5.08 | kPa | 459.17 | Calculated Property |
| Pvap | 9.38 | kPa | 471.90 | Calculated Property |
| Pvap | 16.76 | kPa | 484.64 | Calculated Property |
| Pvap | 29.07 | kPa | 497.37 | Calculated Property |
| Pvap | 49.01 | kPa | 510.11 | Calculated Property |
| Pvap | 80.53 | kPa | 522.84 | Calculated Property |
| Pvap | 129.18 | kPa | 535.58 | Calculated Property |
| Pvap | 202.66 | kPa | 548.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenanthrene, 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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