- InChI
- InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
- InChI Key
- NXLOLUFNDSBYTP-UHFFFAOYSA-N
- Formula
- C18H18
- SMILES
- Cc1cccc2c1ccc1cc(C(C)C)ccc12
- Molecular Weight1
- 234.34
- CAS
- 483-65-8
- Other Names
-
- 1-Methyl-7-(1-methylethyl)phenanthrene
- 1-Methyl-7-isopropylphenanthrene
- 7-Isopropyl-1-methylphenanthrene
- Methyl-1-isopropyl-7-phenanthrene
- NCI-C55390
- NSC 26317
- Phenanthrene, 1-methyl-7-(1-methylethyl)-
- Phenanthrene, 7-isopropyl-1-methyl-
- Reten
- Retene(1-methyl-7-isopropylphenanthrene)
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfG° | 395.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 164.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.74 | Crippen Calculated Property | |
| logPoct/wat | 5.425 | Crippen Calculated Property | |
| McVol | 201.800 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [355.93; 2176.00] |
|
|
| Inp | Outlier 2176.00 | NIST | |
| Inp | 367.31 | NIST | |
| Inp | 358.22 | NIST | |
| Inp | 355.93 | NIST | |
| Inp | 368.67 | NIST | |
| Inp | 368.22 | NIST | |
| Inp | 368.90 | NIST | |
| Inp | 365.96 | NIST | |
| Inp | 368.67 | NIST | |
| Tboil | 663.20 | K | NIST |
| Tc | 929.67 | K | Joback Calculated Property |
| Tfus | 369.00 ± 0.20 | K | NIST |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.01; 619.11] | J/mol×K | [690.38; 929.67] |
|
| Cp,gas | 533.01 | J/mol×K | 690.38 | Joback Calculated Property |
| Cp,gas | 549.91 | J/mol×K | 730.26 | Joback Calculated Property |
| Cp,gas | 565.63 | J/mol×K | 770.14 | Joback Calculated Property |
| Cp,gas | 580.29 | J/mol×K | 810.03 | Joback Calculated Property |
| Cp,gas | 594.01 | J/mol×K | 849.91 | Joback Calculated Property |
| Cp,gas | 606.91 | J/mol×K | 889.79 | Joback Calculated Property |
| Cp,gas | 619.11 | J/mol×K | 929.67 | Joback Calculated Property |
| Cp,solid | 294.60 | J/mol×K | 298.10 | NIST |
| η | [0.0003576; 0.0013642] | Pa×s | [407.00; 690.38] |
|
| η | 0.0013642 | Pa×s | 407.00 | Joback Calculated Property |
| η | 0.0009718 | Pa×s | 454.23 | Joback Calculated Property |
| η | 0.0007380 | Pa×s | 501.46 | Joback Calculated Property |
| η | 0.0005876 | Pa×s | 548.69 | Joback Calculated Property |
| η | 0.0004850 | Pa×s | 595.92 | Joback Calculated Property |
| η | 0.0004118 | Pa×s | 643.15 | Joback Calculated Property |
| η | 0.0003576 | Pa×s | 690.38 | Joback Calculated Property |
| ΔfusH | [18.03; 18.03] | kJ/mol | [369.00; 369.00] |
|
| ΔfusH | 18.03 | kJ/mol | 369.00 | NIST |
| ΔfusH | 18.03 | kJ/mol | 369.00 | NIST |
| ΔfusH | 18.03 | kJ/mol | 369.00 | NIST |
| ΔvapH | 54.00 | kJ/mol | 608.50 | NIST |
| ΔfusS | 48.90 | J/mol×K | 369.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.32; 202.69] | kPa | [500.15; 719.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38591e+01 | |||
| Coefficient B | -5.05071e+03 | |||
| Coefficient C | -1.28244e+02 | |||
| Temperature range, min. | 500.15 | |||
| Temperature range, max. | 719.15 | |||
| Pvap | 1.32 | kPa | 500.15 | Calculated Property |
| Pvap | 3.04 | kPa | 524.48 | Calculated Property |
| Pvap | 6.36 | kPa | 548.82 | Calculated Property |
| Pvap | 12.27 | kPa | 573.15 | Calculated Property |
| Pvap | 22.10 | kPa | 597.48 | Calculated Property |
| Pvap | 37.57 | kPa | 621.82 | Calculated Property |
| Pvap | 60.76 | kPa | 646.15 | Calculated Property |
| Pvap | 94.12 | kPa | 670.48 | Calculated Property |
| Pvap | 140.42 | kPa | 694.82 | Calculated Property |
| Pvap | 202.69 | kPa | 719.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Retene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.