- InChI
- InChI=1S/C31H64/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h31H,4-30H2,1-3H3
- InChI Key
- BCWYKEQUGMQGAP-UHFFFAOYSA-N
- Formula
- C31H64
- SMILES
-
CCCCCCCCCCC(CCCCCCCCCC)CCCCCCC
CCC - Molecular Weight1
- 436.85
- CAS
- 55320-06-4
- Other Names
-
- 11-Decylheneicosane
- 11-n-Decylheneicosane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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°liquid : Liquid 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).
- 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ω | 1.1885 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-20503.30; -20492.00] | kJ/mol |
|
| ΔcH°liquid | -20503.30 ± 8.40 | kJ/mol | NIST |
| ΔcH°liquid | -20492.00 ± 7.90 | kJ/mol | NIST |
| ΔfG° | 207.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-711.20; -700.00] | kJ/mol |
|
| ΔfH°gas | -700.00 ± 9.20 | kJ/mol | NIST |
| ΔfH°gas | -711.20 | kJ/mol | NIST |
| ΔfH°liquid | [-853.40; -842.20] | kJ/mol |
|
| ΔfH°liquid | -842.20 ± 8.80 | kJ/mol | NIST |
| ΔfH°liquid | -853.40 ± 8.00 | kJ/mol | NIST |
| ΔfusH° | 72.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [142.00; 142.00] | kJ/mol |
|
| ΔvapH° | 142.00 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 142.00 ± 0.80 | kJ/mol | NIST |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.195 | Crippen Calculated Property | |
| McVol | 447.650 | ml/mol | McGowan Calculated Property |
| Pc | 570.69 | kPa | Joback Calculated Property |
| S°liquid | 1086.20 | J/mol×K | NIST |
| Tboil | 648.46 | K | Relay (1.0) Calculated Property |
| Tc | 815.84 | K | Relay (1.0) Calculated Property |
| Tfus | [281.85; 283.20] | K |
|
| Tfus | Outlier 283.20 ± 2.00 | K | NIST |
| Tfus | 282.20 ± 1.00 | K | NIST |
| Tfus | 281.85 ± 0.40 | K | NIST |
| Tfus | 281.90 ± 0.50 | K | NIST |
| Tfus | 282.40 ± 1.00 | K | NIST |
| Tfus | 281.85 ± 0.40 | K | NIST |
| Ttriple | [282.34; 282.34] | K |
|
| Ttriple | 282.34 ± 0.10 | K | NIST |
| Ttriple | 282.34 ± 0.10 | K | NIST |
| Vc | 1.743 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1550.16; 1695.88] | J/mol×K | [908.24; 1122.22] |
|
| Cp,gas | 1550.16 | J/mol×K | 908.24 | Joback Calculated Property |
| Cp,gas | 1578.28 | J/mol×K | 943.90 | Joback Calculated Property |
| Cp,gas | 1604.74 | J/mol×K | 979.57 | Joback Calculated Property |
| Cp,gas | 1629.63 | J/mol×K | 1015.23 | Joback Calculated Property |
| Cp,gas | 1653.05 | J/mol×K | 1050.89 | Joback Calculated Property |
| Cp,gas | 1675.10 | J/mol×K | 1086.56 | Joback Calculated Property |
| Cp,gas | 1695.88 | J/mol×K | 1122.22 | Joback Calculated Property |
| Cp,liquid | [937.60; 950.80] | J/mol×K | [290.00; 300.00] |
|
| Cp,liquid | 937.60 | J/mol×K | 290.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 944.20 | J/mol×K | 295.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 948.40 | J/mol×K | 298.15 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 950.80 | J/mol×K | 300.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 949.80 | J/mol×K | 300.00 | NIST |
| η | [0.0000191; 0.0011568] | Pa×s | [424.13; 908.24] |
|
| η | 0.0011568 | Pa×s | 424.13 | Joback Calculated Property |
| η | 0.0003377 | Pa×s | 504.81 | Joback Calculated Property |
| η | 0.0001384 | Pa×s | 585.50 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 666.18 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 746.87 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 827.56 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 908.24 | Joback Calculated Property |
| ΔfusH | [71.13; 71.21] | kJ/mol | [282.30; 282.34] |
|
| ΔfusH | 71.13 | kJ/mol | 282.30 | NIST |
| ΔfusH | 71.13 | kJ/mol | 282.30 | NIST |
| ΔfusH | 71.21 | kJ/mol | 282.34 | NIST |
| ΔfusH | 71.21 | kJ/mol | 282.34 | NIST |
| ΔvapH | 110.90 | kJ/mol | 305.50 | NIST |
| ΔfusS | [252.20; 252.20] | J/mol×K | [282.34; 282.34] |
|
| ΔfusS | 252.20 | J/mol×K | 282.34 | NIST |
| ΔfusS | 252.20 | J/mol×K | 282.34 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [564.92; 757.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63010e+01 | |||
| Coefficient B | -6.73381e+03 | |||
| Coefficient C | -1.44410e+02 | |||
| Temperature range, min. | 564.92 | |||
| Temperature range, max. | 757.16 | |||
| Pvap | 1.33 | kPa | 564.92 | Calculated Property |
| Pvap | 2.89 | kPa | 586.28 | Calculated Property |
| Pvap | 5.84 | kPa | 607.64 | Calculated Property |
| Pvap | 11.08 | kPa | 629.00 | Calculated Property |
| Pvap | 19.92 | kPa | 650.36 | Calculated Property |
| Pvap | 34.15 | kPa | 671.72 | Calculated Property |
| Pvap | 56.15 | kPa | 693.08 | Calculated Property |
| Pvap | 88.94 | kPa | 714.44 | Calculated Property |
| Pvap | 136.27 | kPa | 735.80 | Calculated Property |
| Pvap | 202.66 | kPa | 757.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosane, 11-decyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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