- 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-acetoxyoctane
- 1-octyl acetate
- Acetate C-8
- Acetic acid n-octyl ester
- NSC 67348
- Octanol acetate
- caprylyl acetate
- ethanoic acid, octyl ester
- n-Octanyl acetate
- n-Octyl ethanoate
- n-octyl acetate
- octyl acetate
- octyl alcohol acetate
- octyl ethanoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6096 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.03 | 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 |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.910 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | 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 | 1210.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1190.56 | NIST | |
| Inp | Outlier 1178.00 | NIST | |
| I | [1424.00; 1502.00] |
|
|
| I | 1460.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1479.00 | NIST | |
| 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 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 | 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 | 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 | Outlier 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 | 1461.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1467.00 | NIST | |
| I | Outlier 1439.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1485.00 | 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 | 657.55 | K | Relay (1.0) Calculated Property |
| Tfus | [234.65; 291.65] | K |
|
| Tfus | 291.65 | K | KDB |
| Tfus | 234.65 ± 0.50 | K | NIST |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.76; 440.14] | J/mol×K | [486.62; 656.01] |
|
| Cp,gas | 361.76 | J/mol×K | 486.62 | Joback Calculated Property |
| Cp,gas | 376.18 | J/mol×K | 514.85 | Joback Calculated Property |
| Cp,gas | 390.06 | J/mol×K | 543.08 | Joback Calculated Property |
| Cp,gas | 403.38 | J/mol×K | 571.32 | Joback Calculated Property |
| Cp,gas | 416.17 | J/mol×K | 599.55 | Joback Calculated Property |
| Cp,gas | 428.42 | J/mol×K | 627.78 | Joback Calculated Property |
| Cp,gas | 440.14 | J/mol×K | 656.01 | Joback Calculated Property |
| η | [0.0002084; 0.0058393] | Pa×s | [244.79; 486.62] |
|
| η | 0.0058393 | Pa×s | 244.79 | Joback Calculated Property |
| η | 0.0022625 | Pa×s | 285.10 | Joback Calculated Property |
| η | 0.0011087 | Pa×s | 325.40 | Joback Calculated Property |
| η | 0.0006358 | Pa×s | 365.70 | Joback Calculated Property |
| η | 0.0004072 | Pa×s | 406.01 | Joback Calculated Property |
| η | 0.0002826 | Pa×s | 446.31 | Joback Calculated Property |
| η | 0.0002084 | Pa×s | 486.62 | 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 pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 3.12e-03 | kPa | 278.70 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 4.13e-03 | kPa | 281.80 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 5.29e-03 | kPa | 284.80 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 7.28e-03 | kPa | 287.90 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 9.48e-03 | kPa | 290.90 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 0.01 | kPa | 294.00 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 0.02 | kPa | 297.00 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 0.02 | kPa | 300.10 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 0.03 | kPa | 303.10 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 0.03 | kPa | 306.10 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
| Pvap | 0.04 | kPa | 309.20 | Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates |
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
- Cheméo Relay (1.0)
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
These property values are available through the Cheméo API. A free account gives you an access key.