- InChI
- InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h1,5,7H,4,6,8-10H2,2H3/b7-5+
- InChI Key
- OMLUZGAUTCIZLU-FNORWQNLSA-N
- Formula
- C10H16
- SMILES
- C#CC=CCCCCCC
- Molecular Weight1
- 136.23
- CAS
- 2807-10-5
- 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).
- 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 | 0.3458 | Relay (1.0) Calculated Property | |
| ΔfG° | 336.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 127.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.146 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Tboil | 435.44 | K | Relay (1.0) Calculated Property |
| Tc | 627.63 | K | Relay (1.0) Calculated Property |
| Tfus | 234.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.43; 446.97] | 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 | -6.60500e+00 | |||
| Coefficient B | 8.79920e-01 | |||
| Coefficient C | -5.99930e-04 | |||
| Coefficient D | 1.73590e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 237.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 276.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 341.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 367.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 391.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 411.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 430.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 446.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Decen-1-yne, (E)-.
Sources
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