- InChI
- InChI=1S/C27H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27-25-22-20-23-26-27/h20,22-23,25-26H,2-19,21,24H2,1H3
- InChI Key
- OWXCBZFAHWMZCQ-UHFFFAOYSA-N
- Formula
- C27H48
- SMILES
- CCCCCCCCCCCCCCCCCCCCCc1ccccc1
- Molecular Weight1
- 372.67
- CAS
- 40775-09-5
- Other Names
-
- 11-Phenylheneicosane
- Benzene, heneicosyl-
- ΔcH°liquid : Standard liquid 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°liquid : Liquid phase 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).
- 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°liquid | [-16980.80; -16977.80] | kJ/mol |
|
| ΔcH°liquid | -16980.80 ± 6.70 | kJ/mol | NIST |
| ΔcH°liquid | -16977.80 ± 6.70 | kJ/mol | NIST |
| ΔfG° | 288.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.08 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-508.10; -506.80] | kJ/mol |
|
| ΔfH°liquid | -508.10 ± 6.70 | kJ/mol | NIST |
| ΔfH°liquid | -506.80 ± 6.70 | kJ/mol | NIST |
| ΔfusH° | 59.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.97 | kJ/mol | Joback Calculated Property |
| log10WS | -10.23 | Crippen Calculated Property | |
| logPoct/wat | 9.661 | Crippen Calculated Property | |
| McVol | 367.530 | ml/mol | McGowan Calculated Property |
| Pc | 826.21 | kPa | Joback Calculated Property |
| Tboil | 843.84 | K | Joback Calculated Property |
| Tc | 1034.66 | K | Joback Calculated Property |
| Tfus | 420.47 | K | Joback Calculated Property |
| Vc | 1.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1196.03; 1312.07] | J/mol×K | [843.84; 1034.66] |
|
| Cp,gas | 1196.03 | J/mol×K | 843.84 | Joback Calculated Property |
| Cp,gas | 1218.17 | J/mol×K | 875.64 | Joback Calculated Property |
| Cp,gas | 1239.09 | J/mol×K | 907.45 | Joback Calculated Property |
| Cp,gas | 1258.88 | J/mol×K | 939.25 | Joback Calculated Property |
| Cp,gas | 1277.60 | J/mol×K | 971.05 | Joback Calculated Property |
| Cp,gas | 1295.31 | J/mol×K | 1002.85 | Joback Calculated Property |
| Cp,gas | 1312.07 | J/mol×K | 1034.66 | Joback Calculated Property |
| η | [0.0000388; 0.0012137] | Pa×s | [420.47; 843.84] |
|
| η | 0.0012137 | Pa×s | 420.47 | Joback Calculated Property |
| η | 0.0004526 | Pa×s | 491.03 | Joback Calculated Property |
| η | 0.0002163 | Pa×s | 561.59 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 632.15 | Joback Calculated Property |
| η | 0.0000770 | Pa×s | 702.72 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 773.28 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 843.84 | Joback Calculated Property |
| ΔvapH | 108.40 | kJ/mol | 575.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [529.60; 755.69] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40815e+01 | |||
| Coefficient B | -5.44421e+03 | |||
| Coefficient C | -1.34916e+02 | |||
| Temperature range, min. | 529.60 | |||
| Temperature range, max. | 755.69 | |||
| Pvap | 1.33 | kPa | 529.60 | Calculated Property |
| Pvap | 3.04 | kPa | 554.72 | Calculated Property |
| Pvap | 6.33 | kPa | 579.84 | Calculated Property |
| Pvap | 12.17 | kPa | 604.96 | Calculated Property |
| Pvap | 21.91 | kPa | 630.08 | Calculated Property |
| Pvap | 37.25 | kPa | 655.21 | Calculated Property |
| Pvap | 60.32 | kPa | 680.33 | Calculated Property |
| Pvap | 93.61 | kPa | 705.45 | Calculated Property |
| Pvap | 139.99 | kPa | 730.57 | Calculated Property |
| Pvap | 202.64 | kPa | 755.69 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenylheneicosane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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