Chemical Properties of 3,7-Dimethyloctyl acetate (CAS 20780-49-8)

3,7-Dimethyloctyl acetate

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InChI
InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3
InChI Key
XFPXWDJICXBWRU-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CC(=O)OCCC(C)CCCC(C)C
Molecular Weight1
200.32
CAS
20780-49-8
Other Names
  • 1-Octanol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-1-octanol, acetate
  • 3,7-Dimethyloctanyl acetate
  • 3,7-dimethyl-1-octyl acetate
  • Dihydrocitronellyl acetate
  • Tetrahydrogeranyl acetate
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Physical Properties

Property Value Unit Source
Δf -188.64 kJ/mol Joback Calculated Property
Δfgas -546.37 kJ/mol Joback Calculated Property
Δfus 22.58 kJ/mol Joback Calculated Property
Δvap 50.69 kJ/mol Joback Calculated Property
log10WS -3.22 Crippen Calculated Property
logPoct/wat 3.402 Crippen Calculated Property
McVol 187.380 ml/mol McGowan Calculated Property
Pc 1877.28 kPa Joback Calculated Property
Inp [1260.00; 1319.90]   Show Hide
Inp 1313.70 NIST
Inp 1319.90 NIST
Inp 1313.70 NIST
Inp Outlier 1260.00 NIST
Inp 1319.90 NIST
Inp 1308.00 NIST
Inp 1308.00 NIST
I [1582.00; 1582.00]   Show Hide
I 1582.00 NIST
I 1582.00 NIST
Tboil 549.37 K Joback Calculated Property
Tc 725.46 K Joback Calculated Property
Tfus 267.16 K Joback Calculated Property
Vc 0.720 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [464.71; 553.06] J/mol×K [549.37; 725.46] Show Hide
Cp,gas 464.71 J/mol×K 549.37 Joback Calculated Property
Cp,gas 481.08 J/mol×K 578.72 Joback Calculated Property
Cp,gas 496.78 J/mol×K 608.07 Joback Calculated Property
Cp,gas 511.82 J/mol×K 637.42 Joback Calculated Property
Cp,gas 526.20 J/mol×K 666.76 Joback Calculated Property
Cp,gas 539.94 J/mol×K 696.11 Joback Calculated Property
Cp,gas 553.06 J/mol×K 725.46 Joback Calculated Property
η [0.0001657; 0.0062070] Pa×s [267.16; 549.37] Show Hide
η 0.0062070 Pa×s 267.16 Joback Calculated Property
η 0.0021594 Pa×s 314.19 Joback Calculated Property
η 0.0009890 Pa×s 361.23 Joback Calculated Property
η 0.0005423 Pa×s 408.26 Joback Calculated Property
η 0.0003366 Pa×s 455.30 Joback Calculated Property
η 0.0002285 Pa×s 502.33 Joback Calculated Property
η 0.0001657 Pa×s 549.37 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [385.72; 541.61] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50951e+01
Coefficient B-4.49531e+03
Coefficient C-8.21380e+01
Temperature range, min.385.72
Temperature range, max.541.61
Pvap 1.33 kPa 385.72 Calculated Property
Pvap 2.96 kPa 403.04 Calculated Property
Pvap 6.08 kPa 420.36 Calculated Property
Pvap 11.61 kPa 437.68 Calculated Property
Pvap 20.89 kPa 455.00 Calculated Property
Pvap 35.67 kPa 472.33 Calculated Property
Pvap 58.20 kPa 489.65 Calculated Property
Pvap 91.26 kPa 506.97 Calculated Property
Pvap 138.13 kPa 524.29 Calculated Property
Pvap 202.65 kPa 541.61 Calculated Property

Similar Compounds

Acetic acid, 3,7,11,15-tetramethyl-hexadecyl ester. 3,7,11-Trimethyldodecylacetate. Cyclohexaneethanol, acetate. 3,5,5-Trimethylhexyl acetate. Acetic acid, 3-(2-methoxyethyl)heptyl ester. Isooctyl acetate. Acetic acid, 3-methylpentyl ester. Pimelic acid, di(3,7-dimethyloctyl) ester. Glutaric acid, di(3,7-dimethyloctyl) ester. Diglycolic acid, di(3,7-dimethyloctyl) ester. Succinic acid, 3-methylpentyl nonyl ester. Succinic acid, heptadecyl 3-methylpentyl ester. Succinic acid, 3-methylpentyl tridecyl ester. Succinic acid, 3-methylpentyl octyl ester. Succinic acid, dodecyl 3-methylpentyl ester.

Find more compounds similar to 3,7-Dimethyloctyl acetate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.