- InChI
- InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3
- InChI Key
- PGZRTPKNSFMAOP-UHFFFAOYSA-N
- Formula
- C19H40
- SMILES
- CCCCCCCCCCCCCCCC(C)CC
- Molecular Weight1
- 268.53
- CAS
- 6561-44-0
- Other Names
-
- 3-Methyloctadecane
- 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 | 0.7851 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.514 | Crippen Calculated Property | |
| McVol | 278.570 | ml/mol | McGowan Calculated Property |
| Pc | 1086.35 | kPa | Joback Calculated Property |
| Inp | [1865.00; 1874.00] |
|
|
| Inp | 1874.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Inp | 1873.40 | NIST | |
| Inp | 1865.00 | NIST | |
| Tboil | 570.52 | K | Relay (1.0) Calculated Property |
| Tc | 736.59 | K | Relay (1.0) Calculated Property |
| Tfus | 273.70 ± 1.50 | K | NIST |
| Vc | 1.098 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.70; 894.13] | J/mol×K | [633.68; 794.96] |
|
| Cp,gas | 781.70 | J/mol×K | 633.68 | Joback Calculated Property |
| Cp,gas | 802.48 | J/mol×K | 660.56 | Joback Calculated Property |
| Cp,gas | 822.41 | J/mol×K | 687.44 | Joback Calculated Property |
| Cp,gas | 841.51 | J/mol×K | 714.32 | Joback Calculated Property |
| Cp,gas | 859.82 | J/mol×K | 741.20 | Joback Calculated Property |
| Cp,gas | 877.35 | J/mol×K | 768.08 | Joback Calculated Property |
| Cp,gas | 894.13 | J/mol×K | 794.96 | Joback Calculated Property |
| η | [0.0001019; 0.0057089] | Pa×s | [288.89; 633.68] |
|
| η | 0.0057089 | Pa×s | 288.89 | Joback Calculated Property |
| η | 0.0016729 | Pa×s | 346.36 | Joback Calculated Property |
| η | 0.0006952 | Pa×s | 403.82 | Joback Calculated Property |
| η | 0.0003595 | Pa×s | 461.29 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 518.75 | Joback Calculated Property |
| η | 0.0001427 | Pa×s | 576.22 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 633.68 | Joback Calculated Property |
| ΔvapH | 69.20 | kJ/mol | 526.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [455.59; 636.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42061e+01 | |||
| Coefficient B | -4.45449e+03 | |||
| Coefficient C | -1.35550e+02 | |||
| Temperature range, min. | 455.59 | |||
| Temperature range, max. | 636.36 | |||
| Pvap | 1.33 | kPa | 455.59 | Calculated Property |
| Pvap | 3.03 | kPa | 475.68 | Calculated Property |
| Pvap | 6.30 | kPa | 495.76 | Calculated Property |
| Pvap | 12.10 | kPa | 515.85 | Calculated Property |
| Pvap | 21.77 | kPa | 535.93 | Calculated Property |
| Pvap | 37.04 | kPa | 556.02 | Calculated Property |
| Pvap | 60.04 | kPa | 576.10 | Calculated Property |
| Pvap | 93.31 | kPa | 596.19 | Calculated Property |
| Pvap | 139.76 | kPa | 616.27 | Calculated Property |
| Pvap | 202.67 | kPa | 636.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 3-methyl-.
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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