Chemical Properties of Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester

Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester

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InChI
InChI=1S/C12H13ClO2/c1-3-5-9(2)15-12(14)10-6-4-7-11(13)8-10/h3-4,6-9H,1,5H2,2H3
InChI Key
CELDXIWRLNPHGJ-UHFFFAOYSA-N
Formula
C12H13ClO2
SMILES
C=CCC(C)OC(=O)c1cccc(Cl)c1
Molecular Weight1
224.68
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Physical Properties

Property Value Unit Source
Δf -7.51 kJ/mol Joback Calculated Property
Δfgas -206.34 kJ/mol Joback Calculated Property
Δfus 22.67 kJ/mol Joback Calculated Property
Δvap 57.73 kJ/mol Joback Calculated Property
log10WS -4.04 Crippen Calculated Property
logPoct/wat 3.461 Crippen Calculated Property
McVol 171.560 ml/mol McGowan Calculated Property
Pc 2512.55 kPa Joback Calculated Property
Inp [1514.00; 1533.00]   Show Hide
Inp 1517.00 NIST
Inp 1526.00 NIST
Inp 1533.00 NIST
Inp 1528.00 NIST
Inp 1514.00 NIST
Inp 1524.00 NIST
Inp 1528.00 NIST
I [2057.00; 2093.00]   Show Hide
I 2057.00 NIST
I 2074.00 NIST
I 2093.00 NIST
I 2091.00 NIST
I 2065.00 NIST
I 2073.00 NIST
I 2091.00 NIST
Tboil 615.58 K Joback Calculated Property
Tc 835.06 K Joback Calculated Property
Tfus 349.26 K Joback Calculated Property
Vc 0.647 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [400.48; 470.06] J/mol×K [615.58; 835.06] Show Hide
Cp,gas 400.48 J/mol×K 615.58 Joback Calculated Property
Cp,gas 414.16 J/mol×K 652.16 Joback Calculated Property
Cp,gas 426.97 J/mol×K 688.74 Joback Calculated Property
Cp,gas 438.94 J/mol×K 725.32 Joback Calculated Property
Cp,gas 450.09 J/mol×K 761.90 Joback Calculated Property
Cp,gas 460.46 J/mol×K 798.48 Joback Calculated Property
Cp,gas 470.06 J/mol×K 835.06 Joback Calculated Property
η [0.0001682; 0.0018480] Pa×s [349.26; 615.58] Show Hide
η 0.0018480 Pa×s 349.26 Joback Calculated Property
η 0.0009895 Pa×s 393.65 Joback Calculated Property
η 0.0006014 Pa×s 438.03 Joback Calculated Property
η 0.0004005 Pa×s 482.42 Joback Calculated Property
η 0.0002857 Pa×s 526.81 Joback Calculated Property
η 0.0002148 Pa×s 571.19 Joback Calculated Property
η 0.0001682 Pa×s 615.58 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-chloro, 2-methyl-3-butenyl ester. Benzoic acid, 4-chloro, 1-methyl-3-butenyl ester. 4-Penten-2-ol, benzoate. sec-Butyl 3-chlorobenzoate. (Z)-Non-3-enyl 3-chlorobenzoate. Benzoic acid, 4-nitro, 1-methyl-3-butenyl ester. Pentan-2-yl 3-chlorobenzoate. Pent-4-enyl 3-chlorobenzoate. Hexan-2-yl 3-chlorobenzoate. Octan-2-yl 3-chlorobenzoate. Decan-2-yl 3-chlorobenzoate. But-3-enyl 3-chlorobenzoate. Hexan-3-yl 3-chlorobenzoate. 3-Oxobutan-2-yl 3-chlorobenzoate. (Z)-Dec-4-enyl 3-chlorobenzoate.

Find more compounds similar to Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester.

Sources

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