- InChI
- InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
- InChI Key
- YLYBTZIQSIBWLI-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCCCCCOC(C)=O
- Molecular Weight1
- 172.26
- CAS
- 112-14-1
- Other Names
-
- 1-Octanol acetate
- 1-Octyl acetate
- 1-acetoxyoctane
- Acetate C-8
- Acetic acid n-octyl ester
- CAPRYLYL ACETATE
- NSC 67348
- OCTYL ACETATE
- OCTYL ALCOHOL ACETATE
- Octanol acetate
- ethanoic acid, octyl ester
- n-Octanyl acetate
- n-Octyl acetate
- n-Octyl ethanoate
- octyl ethanoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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° | -200.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [60.70; 61.70] | kJ/mol |
|
| ΔvapH° | 60.70 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 61.70 | kJ/mol | NIST |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.910 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | [1172.00; 1222.00] |
|
|
| Inp | 1190.56 | NIST | |
| Inp | 1211.65 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1191.90 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | Outlier 1178.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1189.40 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | Outlier 1172.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | Outlier 1222.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | Outlier 1219.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1202.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | Outlier 1220.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1190.56 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | Outlier 1178.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1199.00 | NIST | |
| I | [1424.00; 1502.00] |
|
|
| I | 1493.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1454.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1485.00 | NIST | |
| I | Outlier 1424.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1468.00 | NIST | |
| I | Outlier 1424.00 | NIST | |
| I | Outlier 1424.00 | NIST | |
| I | Outlier 1429.00 | NIST | |
| I | 1476.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1469.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1469.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1481.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1471.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1474.00 | NIST | |
| I | 1491.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1475.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1477.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1472.30 | NIST | |
| I | 1482.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1491.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1454.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1439.00 | NIST | |
| I | 1469.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1459.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1439.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1478.00 | NIST | |
| Tboil | [480.15; 486.15] | K |
|
| Tboil | 483.20 | K | NIST |
| Tboil | 482.00 ± 4.00 | K | NIST |
| Tboil | 484.65 ± 1.00 | K | NIST |
| Tboil | 486.15 ± 2.00 | K | NIST |
| Tboil | 483.20 ± 1.50 | K | NIST |
| Tboil | 480.15 ± 1.00 | K | NIST |
| Tc | 676.79 | K | Joback Calculated Property |
| Tfus | [234.65; 291.65] | K |
|
| Tfus | 291.65 | K | KDB |
| Tfus | 234.65 ± 0.50 | K | NIST |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.11; 445.25] | J/mol×K | [504.49; 676.79] |
|
| Cp,gas | 368.11 | J/mol×K | 504.49 | Joback Calculated Property |
| Cp,gas | 382.26 | J/mol×K | 533.21 | Joback Calculated Property |
| Cp,gas | 395.89 | J/mol×K | 561.92 | Joback Calculated Property |
| Cp,gas | 409.00 | J/mol×K | 590.64 | Joback Calculated Property |
| Cp,gas | 421.59 | J/mol×K | 619.36 | Joback Calculated Property |
| Cp,gas | 433.67 | J/mol×K | 648.08 | Joback Calculated Property |
| Cp,gas | 445.25 | J/mol×K | 676.79 | Joback Calculated Property |
| η | [0.0002230; 0.0032806] | Pa×s | [274.62; 504.49] |
|
| η | 0.0032806 | Pa×s | 274.62 | Joback Calculated Property |
| η | 0.0015931 | Pa×s | 312.93 | Joback Calculated Property |
| η | 0.0009057 | Pa×s | 351.24 | Joback Calculated Property |
| η | 0.0005753 | Pa×s | 389.56 | Joback Calculated Property |
| η | 0.0003964 | Pa×s | 427.87 | Joback Calculated Property |
| η | 0.0002904 | Pa×s | 466.18 | Joback Calculated Property |
| η | 0.0002230 | Pa×s | 504.49 | Joback Calculated Property |
| ΔvapH | [47.80; 54.90] | kJ/mol | [375.50; 408.50] |
|
| ΔvapH | 54.90 | kJ/mol | 375.50 | NIST |
| ΔvapH | 47.80 | kJ/mol | 408.50 | NIST |
| Pvap | [1.97e-03; 0.04] | kPa | [274.50; 309.20] |
|
| Pvap | 1.97e-03 | kPa | 274.50 | Vapour ... |
| Pvap | 3.12e-03 | kPa | 278.70 | Vapour ... |
| Pvap | 4.13e-03 | kPa | 281.80 | Vapour ... |
| Pvap | 5.29e-03 | kPa | 284.80 | Vapour ... |
| Pvap | 7.28e-03 | kPa | 287.90 | Vapour ... |
| Pvap | 9.48e-03 | kPa | 290.90 | Vapour ... |
| Pvap | 0.01 | kPa | 294.00 | Vapour ... |
| Pvap | 0.02 | kPa | 297.00 | Vapour ... |
| Pvap | 0.02 | kPa | 300.10 | Vapour ... |
| Pvap | 0.03 | kPa | 303.10 | Vapour ... |
| Pvap | 0.03 | kPa | 306.10 | Vapour ... |
| Pvap | 0.04 | kPa | 309.20 | Vapour ... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.70 | K | 4.00 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, octyl ester.
Sources
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
- Parametric Analysis of Mandelic Acid Separation from Aqueous Solutions by Using Secondary Amine Mixture (Amberlite LA-2) in Various Diluents
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
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