- InChI
- InChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h2,4-17H2,1,3H3
- InChI Key
- ZKRHEOXJNQPNQD-UHFFFAOYSA-N
- Formula
- C18H36
- SMILES
- C=C(C)CCCCCCCCCCCCCCC
- Molecular Weight1
- 252.48
- CAS
- 42764-74-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 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 | 0.7515 | Relay (1.0) Calculated Property | |
| ΔfG° | 179.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.044 | Crippen Calculated Property | |
| McVol | 260.180 | ml/mol | McGowan Calculated Property |
| Pc | 1189.88 | kPa | Joback Calculated Property |
| Tboil | 574.24 | K | Relay (1.0) Calculated Property |
| Tc | 734.56 | K | Relay (1.0) Calculated Property |
| Tfus | 283.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.030 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.67; 919.18] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.61560e+01 | |||
| Coefficient B | 1.69374e+00 | |||
| Coefficient C | -9.80600e-04 | |||
| Coefficient D | 2.22200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 377.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 552.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 626.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 692.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 749.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 800.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 845.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 884.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 919.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [440.90; 611.76] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55122e+01 | |||
| Coefficient B | -5.28146e+03 | |||
| Coefficient C | -9.40000e+01 | |||
| Temperature range, min. | 440.90 | |||
| Temperature range, max. | 611.76 | |||
| Pvap | 1.33 | kPa | 440.90 | Calculated Property |
| Pvap | 2.94 | kPa | 459.88 | Calculated Property |
| Pvap | 5.99 | kPa | 478.87 | Calculated Property |
| Pvap | 11.41 | kPa | 497.85 | Calculated Property |
| Pvap | 20.53 | kPa | 516.84 | Calculated Property |
| Pvap | 35.11 | kPa | 535.82 | Calculated Property |
| Pvap | 57.44 | kPa | 554.81 | Calculated Property |
| Pvap | 90.41 | kPa | 573.79 | Calculated Property |
| Pvap | 137.46 | kPa | 592.78 | Calculated Property |
| Pvap | 202.67 | kPa | 611.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-1-heptadecene.
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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