- InChI
- InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-5,7,9-18H2,1-2H3
- InChI Key
- UQMLWEGZEBCVLH-UHFFFAOYSA-N
- Formula
- C18H34
- SMILES
- CCC#CCCCCCCCCCCCCCC
- Molecular Weight1
- 250.47
- CAS
- 61886-64-4
- 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).
- 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).
- 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 | 0.6865 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.491 | Crippen Calculated Property | |
| McVol | 255.880 | ml/mol | McGowan Calculated Property |
| Pc | 1288.36 | kPa | Joback Calculated Property |
| Tboil | 549.55 | K | Relay (1.0) Calculated Property |
| Tc | 751.03 | K | Relay (1.0) Calculated Property |
| Tfus | 278.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.003 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 64.50 | kJ/mol | 535.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.43; 886.84] | 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 | 4.08400e+00 | |||
| Coefficient B | 1.56404e+00 | |||
| Coefficient C | -8.63260e-04 | |||
| Coefficient D | 1.81980e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 370.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 457.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 535.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 605.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 668.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 723.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 772.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 815.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 853.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 886.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [449.72; 619.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55327e+01 | |||
| Coefficient B | -5.26477e+03 | |||
| Coefficient C | -1.04378e+02 | |||
| Temperature range, min. | 449.72 | |||
| Temperature range, max. | 619.46 | |||
| Pvap | 1.33 | kPa | 449.72 | Calculated Property |
| Pvap | 2.94 | kPa | 468.58 | Calculated Property |
| Pvap | 5.98 | kPa | 487.44 | Calculated Property |
| Pvap | 11.40 | kPa | 506.30 | Calculated Property |
| Pvap | 20.51 | kPa | 525.16 | Calculated Property |
| Pvap | 35.08 | kPa | 544.02 | Calculated Property |
| Pvap | 57.40 | kPa | 562.88 | Calculated Property |
| Pvap | 90.36 | kPa | 581.74 | Calculated Property |
| Pvap | 137.41 | kPa | 600.60 | Calculated Property |
| Pvap | 202.64 | kPa | 619.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octadecyne.
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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