- InChI
- InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-
- InChI Key
- NNLLMULULOBXBY-PLNGDYQASA-N
- Formula
- C9H16O3
- SMILES
- CCC=CCCOC(=O)C(C)O
- Molecular Weight1
- 172.22
- CAS
- 61931-81-5
- Other Names
-
- Lactic acid cis-3-hexenyl ester
- Propanoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-
- (Z)-hex-3-enyl lactate
- 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).
- 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° | -268.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.68 | Crippen Calculated Property | |
| logPoct/wat | 1.267 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Inp | 1187.00 | NIST | |
| I | [1727.00; 1727.00] |
|
|
| I | 1727.00 | NIST | |
| I | 1727.00 | NIST | |
| Tboil | 577.51 | K | Joback Calculated Property |
| Tc | 754.42 | K | Joback Calculated Property |
| Tfus | 304.09 | K | Joback Calculated Property |
| Vc | 0.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.75; 421.31] | J/mol×K | [577.51; 754.42] |
|
| Cp,gas | 360.75 | J/mol×K | 577.51 | Joback Calculated Property |
| Cp,gas | 372.07 | J/mol×K | 606.99 | Joback Calculated Property |
| Cp,gas | 382.88 | J/mol×K | 636.48 | Joback Calculated Property |
| Cp,gas | 393.19 | J/mol×K | 665.96 | Joback Calculated Property |
| Cp,gas | 403.02 | J/mol×K | 695.45 | Joback Calculated Property |
| Cp,gas | 412.39 | J/mol×K | 724.93 | Joback Calculated Property |
| Cp,gas | 421.31 | J/mol×K | 754.42 | Joback Calculated Property |
| η | [0.0000724; 0.0115818] | Pa×s | [304.09; 577.51] |
|
| η | 0.0115818 | Pa×s | 304.09 | Joback Calculated Property |
| η | 0.0028644 | Pa×s | 349.66 | Joback Calculated Property |
| η | 0.0009777 | Pa×s | 395.23 | Joback Calculated Property |
| η | 0.0004168 | Pa×s | 440.80 | Joback Calculated Property |
| η | 0.0002084 | Pa×s | 486.37 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 531.94 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 577.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Hexenyllactate.
Sources
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