- InChI
- InChI=1S/C21H26/c1-2-4-6-8-19-11-15-21(16-12-19)17-20-13-9-18(10-14-20)7-5-3-1/h9-16H,1-8,17H2
- InChI Key
- DMCPGMNUZQZGNM-UHFFFAOYSA-N
- Formula
- C21H26
- SMILES
- c1cc2ccc1CCCCCCCCc1ccc(cc1)C2
- Molecular Weight1
- 278.43
- CAS
- 6169-94-4
- ΔcH°solid : Standard solid enthalpy of combustion (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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -11898.00 ± 7.10 | kJ/mol | NIST |
| ΔfG° | 327.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 29.00 ± 9.20 | kJ/mol | NIST |
| ΔfH°solid | -82.00 ± 7.10 | kJ/mol | NIST |
| ΔfusH° | 21.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [110.90; 111.00] | kJ/mol |
|
| ΔsubH° | 111.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 111.00 | kJ/mol | NIST |
| ΔsubH° | 110.90 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | 69.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 5.717 | Crippen Calculated Property | |
| McVol | 248.370 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Tboil | 780.23 | K | Joback Calculated Property |
| Tc | 1048.60 | K | Joback Calculated Property |
| Tfus | 405.37 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.39; 857.68] | J/mol×K | [780.23; 1048.60] |
|
| Cp,gas | 748.39 | J/mol×K | 780.23 | Joback Calculated Property |
| Cp,gas | 772.05 | J/mol×K | 824.96 | Joback Calculated Property |
| Cp,gas | 793.41 | J/mol×K | 869.69 | Joback Calculated Property |
| Cp,gas | 812.55 | J/mol×K | 914.42 | Joback Calculated Property |
| Cp,gas | 829.57 | J/mol×K | 959.14 | Joback Calculated Property |
| Cp,gas | 844.58 | J/mol×K | 1003.87 | Joback Calculated Property |
| Cp,gas | 857.68 | J/mol×K | 1048.60 | Joback Calculated Property |
| η | [0.0000265; 0.0012679] | Pa×s | [405.37; 780.23] |
|
| η | 0.0012679 | Pa×s | 405.37 | Joback Calculated Property |
| η | 0.0004326 | Pa×s | 467.85 | Joback Calculated Property |
| η | 0.0001901 | Pa×s | 530.32 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 592.80 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 655.28 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 717.75 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 780.23 | Joback Calculated Property |
| ΔsubH | 105.00 ± 1.30 | kJ/mol | 365.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [464.01; 667.47] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.67687e+01 | |||
| Coefficient B | -7.64741e+03 | |||
| Temperature range, min. | 464.01 | |||
| Temperature range, max. | 667.47 | |||
| Pvap | 1.33 | kPa | 464.01 | Calculated Property |
| Pvap | 2.87 | kPa | 486.62 | Calculated Property |
| Pvap | 5.76 | kPa | 509.22 | Calculated Property |
| Pvap | 10.91 | kPa | 531.83 | Calculated Property |
| Pvap | 19.60 | kPa | 554.44 | Calculated Property |
| Pvap | 33.65 | kPa | 577.04 | Calculated Property |
| Pvap | 55.46 | kPa | 599.65 | Calculated Property |
| Pvap | 88.14 | kPa | 622.26 | Calculated Property |
| Pvap | 135.61 | kPa | 644.86 | Calculated Property |
| Pvap | 202.64 | kPa | 667.47 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Paracyclophane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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