- InChI
- InChI=1S/C10H18/c1-5-8-9-10(4,6-2)7-3/h5-7H2,1-4H3
- InChI Key
- YHNZUFTUGJAEPN-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CCC#CC(C)(CC)CC
- Molecular Weight1
- 138.25
- CAS
- 61228-10-2
- Other Names
-
- 5-ethyl-5-methyl-3-heptyne
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 238.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2502.50 | kPa | Joback Calculated Property |
| Tboil | 433.97 | K | Joback Calculated Property |
| Tc | 630.64 | K | Joback Calculated Property |
| Tfus | 310.98 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.42; 374.53] | J/mol×K | [433.97; 630.64] | 
|
| Cp,gas | 290.42 | J/mol×K | 433.97 | Joback Calculated Property |
| Cp,gas | 306.36 | J/mol×K | 466.75 | Joback Calculated Property |
| Cp,gas | 321.48 | J/mol×K | 499.53 | Joback Calculated Property |
| Cp,gas | 335.83 | J/mol×K | 532.31 | Joback Calculated Property |
| Cp,gas | 349.43 | J/mol×K | 565.08 | Joback Calculated Property |
| Cp,gas | 362.32 | J/mol×K | 597.86 | Joback Calculated Property |
| Cp,gas | 374.53 | J/mol×K | 630.64 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [334.92; 473.98] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50814e+01 | |||
| Coefficient B | -4.00075e+03 | |||
| Coefficient C | -6.44840e+01 | |||
| Temperature range, min. | 334.92 | |||
| Temperature range, max. | 473.98 | |||
| Pvap | 1.33 | kPa | 334.92 | Calculated Property |
| Pvap | 2.97 | kPa | 350.37 | Calculated Property |
| Pvap | 6.08 | kPa | 365.82 | Calculated Property |
| Pvap | 11.62 | kPa | 381.27 | Calculated Property |
| Pvap | 20.90 | kPa | 396.72 | Calculated Property |
| Pvap | 35.69 | kPa | 412.18 | Calculated Property |
| Pvap | 58.23 | kPa | 427.63 | Calculated Property |
| Pvap | 91.28 | kPa | 443.08 | Calculated Property |
| Pvap | 138.15 | kPa | 458.53 | Calculated Property |
| Pvap | 202.64 | kPa | 473.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptyne, 5-ethyl-5-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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