- InChI
- InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
- InChI Key
- LPWKTEHEFDVAQS-VOTSOKGWSA-N
- Formula
- C9H16O2
- SMILES
- CCCC=CCOC(=O)CC
- Molecular Weight1
- 156.22
- CAS
- 53398-80-4
- Other Names
-
- (2E)-2-Hexenyl propionate
- (E)-2-Hexen-1-ol, propanoate
- (E)-2-Hexenyl propanoate
- (E)-2-Hexenyl propionate
- (E)-hex-2-enyl propionate
- 2-Hexenyl propanoate
- trans-2-Hexenyl n-propionate
- trans-2-Hexenyl propionate
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -128.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Inp | [1070.00; 1111.00] |
|
|
| Inp | 1070.00 | NIST | |
| Inp | 1088.70 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1088.70 | NIST | |
| Inp | 1085.00 | NIST | |
| I | [1370.00; 1392.00] |
|
|
| I | 1392.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1370.00 | NIST | |
| Tboil | 485.77 | K | Joback Calculated Property |
| Tc | 667.32 | K | Joback Calculated Property |
| Tfus | 258.27 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.02; 375.62] | J/mol×K | [485.77; 667.32] |
|
| Cp,gas | 306.02 | J/mol×K | 485.77 | Joback Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 516.03 | Joback Calculated Property |
| Cp,gas | 331.30 | J/mol×K | 546.29 | Joback Calculated Property |
| Cp,gas | 343.15 | J/mol×K | 576.54 | Joback Calculated Property |
| Cp,gas | 354.47 | J/mol×K | 606.80 | Joback Calculated Property |
| Cp,gas | 365.29 | J/mol×K | 637.06 | Joback Calculated Property |
| Cp,gas | 375.62 | J/mol×K | 667.32 | Joback Calculated Property |
| η | [0.0002011; 0.0030655] | Pa×s | [258.27; 485.77] |
|
| η | 0.0030655 | Pa×s | 258.27 | Joback Calculated Property |
| η | 0.0014558 | Pa×s | 296.19 | Joback Calculated Property |
| η | 0.0008186 | Pa×s | 334.10 | Joback Calculated Property |
| η | 0.0005177 | Pa×s | 372.02 | Joback Calculated Property |
| η | 0.0003563 | Pa×s | 409.94 | Joback Calculated Property |
| η | 0.0002612 | Pa×s | 447.85 | Joback Calculated Property |
| η | 0.0002011 | Pa×s | 485.77 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [354.34; 489.46] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58377e+01 | |||
| Coefficient B | -4.40236e+03 | |||
| Coefficient C | -7.12340e+01 | |||
| Temperature range, min. | 354.34 | |||
| Temperature range, max. | 489.46 | |||
| Pvap | 1.33 | kPa | 354.34 | Calculated Property |
| Pvap | 2.92 | kPa | 369.35 | Calculated Property |
| Pvap | 5.92 | kPa | 384.37 | Calculated Property |
| Pvap | 11.27 | kPa | 399.38 | Calculated Property |
| Pvap | 20.26 | kPa | 414.39 | Calculated Property |
| Pvap | 34.69 | kPa | 429.41 | Calculated Property |
| Pvap | 56.88 | kPa | 444.42 | Calculated Property |
| Pvap | 89.77 | kPa | 459.43 | Calculated Property |
| Pvap | 136.93 | kPa | 474.45 | Calculated Property |
| Pvap | 202.64 | kPa | 489.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexen-1-ol, propanoate, (E)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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