- InChI
- InChI=1S/C32H66/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2)3/h32H,4-31H2,1-3H3
- InChI Key
- XRBHKBOAKDZICV-UHFFFAOYSA-N
- Formula
- C32H66
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(C)C - Molecular Weight1
- 450.88
- CAS
- 1720-12-3
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 1.2513 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 160.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.585 | Crippen Calculated Property | |
| McVol | 461.740 | ml/mol | McGowan Calculated Property |
| Pc | 545.39 | kPa | Joback Calculated Property |
| Inp | [3159.60; 3175.00] |
|
|
| Inp | 3162.00 | NIST | |
| Inp | 3159.60 | NIST | |
| Inp | 3165.00 | NIST | |
| Inp | 3162.00 | NIST | |
| Inp | Outlier 3175.00 | NIST | |
| Inp | 3160.00 | NIST | |
| Inp | 3162.00 | NIST | |
| Inp | 3159.60 | NIST | |
| Tboil | 653.52 | K | Relay (1.0) Calculated Property |
| Tc | 824.00 | K | Relay (1.0) Calculated Property |
| Tfus | 321.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.840 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1618.39; 1768.88] | J/mol×K | [931.12; 1155.67] |
|
| Cp,gas | 1618.39 | J/mol×K | 931.12 | Joback Calculated Property |
| Cp,gas | 1647.62 | J/mol×K | 968.55 | Joback Calculated Property |
| Cp,gas | 1675.03 | J/mol×K | 1005.97 | Joback Calculated Property |
| Cp,gas | 1700.75 | J/mol×K | 1043.40 | Joback Calculated Property |
| Cp,gas | 1724.89 | J/mol×K | 1080.82 | Joback Calculated Property |
| Cp,gas | 1747.56 | J/mol×K | 1118.25 | Joback Calculated Property |
| Cp,gas | 1768.88 | J/mol×K | 1155.67 | Joback Calculated Property |
| η | [0.0000163; 0.0009952] | Pa×s | [435.40; 931.12] |
|
| η | 0.0009952 | Pa×s | 435.40 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 518.02 | Joback Calculated Property |
| η | 0.0001190 | Pa×s | 600.64 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 683.26 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 765.88 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 848.50 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 931.12 | Joback Calculated Property |
| ΔvapH | 120.90 | kJ/mol | 604.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [571.37; 774.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48922e+01 | |||
| Coefficient B | -5.65952e+03 | |||
| Coefficient C | -1.83850e+02 | |||
| Temperature range, min. | 571.37 | |||
| Temperature range, max. | 774.57 | |||
| Pvap | 1.33 | kPa | 571.37 | Calculated Property |
| Pvap | 2.98 | kPa | 593.95 | Calculated Property |
| Pvap | 6.12 | kPa | 616.53 | Calculated Property |
| Pvap | 11.71 | kPa | 639.10 | Calculated Property |
| Pvap | 21.07 | kPa | 661.68 | Calculated Property |
| Pvap | 35.96 | kPa | 684.26 | Calculated Property |
| Pvap | 58.60 | kPa | 706.84 | Calculated Property |
| Pvap | 91.70 | kPa | 729.41 | Calculated Property |
| Pvap | 138.48 | kPa | 751.99 | Calculated Property |
| Pvap | 202.65 | kPa | 774.57 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylhentriacontane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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