- InChI
- InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4H,2-3,5-9H2,1H3
- InChI Key
- NSYNOHXVZCEBTM-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=CCC(=O)OCCCCCC
- Molecular Weight1
- 170.25
- Other Names
-
- 3-Butenoic acid, hexyl ester
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.5560 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | [1142.00; 1160.00] |
|
|
| Inp | 1142.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Tboil | 468.00 | K | Relay (1.0) Calculated Property |
| Tc | 666.46 | K | Relay (1.0) Calculated Property |
| Tfus | 207.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.15; 514.84] | 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 | 1.62160e+01 | |||
| Coefficient B | 8.79020e-01 | |||
| Coefficient C | -4.48500e-04 | |||
| Coefficient D | 6.81000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 224.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 359.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 395.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 426.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 454.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 478.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 498.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 514.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053138; 0.0002508] | Pa×s | [243.03; 459.11] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.17247e+01 | |||
| Coefficient B | 1.57660e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 243.03 | |||
| Temperature range, max. | 459.11 | |||
| η | 0.0053138 | Pa×s | 243.03 | Calculated Property |
| η | 0.0029655 | Pa×s | 267.04 | Calculated Property |
| η | 0.0018222 | Pa×s | 291.05 | Calculated Property |
| η | 0.0012059 | Pa×s | 315.06 | Calculated Property |
| η | 0.0008461 | Pa×s | 339.06 | Calculated Property |
| η | 0.0006221 | Pa×s | 363.07 | Calculated Property |
| η | 0.0004752 | Pa×s | 387.08 | Calculated Property |
| η | 0.0003746 | Pa×s | 411.09 | Calculated Property |
| η | 0.0003032 | Pa×s | 435.10 | Calculated Property |
| η | 0.0002508 | Pa×s | 459.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 3-butenoate.
Sources
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