- InChI
- InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
- InChI Key
- XPFTVTFOOTVHIA-ALCCZGGFSA-N
- Formula
- C11H20O2
- SMILES
- CCC=CCCOC(=O)CCCC
- Molecular Weight1
- 184.28
- CAS
- 35852-46-1
- Other Names
-
- (3Z)-3-Hexenyl pentanoate
- (Z)-3-Hexen-1-ol, pentanoate
- (Z)-3-Hexenyl pentanoate
- (Z)-3-Hexenyl valerate
- (Z)-Hex-3-enyl valerate
- Pentanoic acid, (3Z)-3-hexen-1-yl ester
- Pentanoic acid, (3Z)-3-hexenyl ester
- Pentanoic acid, 3-hexenyl ester, (Z)-
- cis-3-Hexenyl N-valerate
- cis-3-Hexenyl valerate
- 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° | -111.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Inp | [1235.80; 1270.00] |
|
|
| Inp | 1239.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1235.80 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1235.80 | NIST | |
| I | [1518.00; 1554.00] |
|
|
| I | 1518.00 | NIST | |
| I | 1554.00 | NIST | |
| I | 1518.00 | NIST | |
| I | 1521.00 | NIST | |
| I | 1554.00 | NIST | |
| Tboil | 531.53 | K | Joback Calculated Property |
| Tc | 709.61 | K | Joback Calculated Property |
| Tfus | 280.81 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.35; 475.98] | J/mol×K | [531.53; 709.61] |
|
| Cp,gas | 397.35 | J/mol×K | 531.53 | Joback Calculated Property |
| Cp,gas | 411.96 | J/mol×K | 561.21 | Joback Calculated Property |
| Cp,gas | 425.95 | J/mol×K | 590.89 | Joback Calculated Property |
| Cp,gas | 439.33 | J/mol×K | 620.57 | Joback Calculated Property |
| Cp,gas | 452.12 | J/mol×K | 650.25 | Joback Calculated Property |
| Cp,gas | 464.33 | J/mol×K | 679.93 | Joback Calculated Property |
| Cp,gas | 475.98 | J/mol×K | 709.61 | Joback Calculated Property |
| η | [0.0001740; 0.0029775] | Pa×s | [280.81; 531.53] |
|
| η | 0.0029775 | Pa×s | 280.81 | Joback Calculated Property |
| η | 0.0013650 | Pa×s | 322.60 | Joback Calculated Property |
| η | 0.0007484 | Pa×s | 364.38 | Joback Calculated Property |
| η | 0.0004643 | Pa×s | 406.17 | Joback Calculated Property |
| η | 0.0003149 | Pa×s | 447.96 | Joback Calculated Property |
| η | 0.0002282 | Pa×s | 489.74 | Joback Calculated Property |
| η | 0.0001740 | Pa×s | 531.53 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [390.06; 527.19] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65377e+01 | |||
| Coefficient B | -4.97929e+03 | |||
| Coefficient C | -8.36470e+01 | |||
| Temperature range, min. | 390.06 | |||
| Temperature range, max. | 527.19 | |||
| Pvap | 1.33 | kPa | 390.06 | Calculated Property |
| Pvap | 2.88 | kPa | 405.30 | Calculated Property |
| Pvap | 5.80 | kPa | 420.53 | Calculated Property |
| Pvap | 10.99 | kPa | 435.77 | Calculated Property |
| Pvap | 19.76 | kPa | 451.01 | Calculated Property |
| Pvap | 33.89 | kPa | 466.24 | Calculated Property |
| Pvap | 55.79 | kPa | 481.48 | Calculated Property |
| Pvap | 88.53 | kPa | 496.72 | Calculated Property |
| Pvap | 135.93 | kPa | 511.95 | Calculated Property |
| Pvap | 202.66 | kPa | 527.19 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Valeric acid cis-3-hexenyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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