Chemical Properties of Benzeneacetic acid, 4-nitro-, 2-methyloct-5-yn-4-yl ester

Benzeneacetic acid, 4-nitro-, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C17H21NO4/c1-4-5-6-16(11-13(2)3)22-17(19)12-14-7-9-15(10-8-14)18(20)21/h7-10,13,16H,4,11-12H2,1-3H3
InChI Key
ASAYLLCDIXXUSW-UHFFFAOYSA-N
Formula
C17H21NO4
SMILES
CCC#CC(CC(C)C)OC(=O)Cc1ccc([N+](=O)[O-])cc1
Molecular Weight1
303.36
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Physical Properties

Property Value Unit Source
ΔfusH° 45.24 kJ/mol Joback Calculated Property
logPoct/wat 3.509 Crippen Calculated Property
McVol 242.890 ml/mol McGowan Calculated Property
Inp [2236.00; 2236.00]   Show Hide
Inp 2236.00 NIST
Inp 2236.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [717.34; 786.58] J/mol×K [838.40; 1075.75] Show Hide
Cp,gas 717.34 J/mol×K 838.40 Joback Calculated Property
Cp,gas 731.96 J/mol×K 877.96 Joback Calculated Property
Cp,gas 745.28 J/mol×K 917.52 Joback Calculated Property
Cp,gas 757.36 J/mol×K 957.07 Joback Calculated Property
Cp,gas 768.23 J/mol×K 996.63 Joback Calculated Property
Cp,gas 777.96 J/mol×K 1036.19 Joback Calculated Property
Cp,gas 786.58 J/mol×K 1075.75 Joback Calculated Property

Similar Compounds

Benzeneacetic acid, 4-nitro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-chloro-, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-nitro-, hex-4-yn-3-yl ester. phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. phenylacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Succinic acid, 2-methylhex-3-yl 2-(3-nitrophenyl)ethyl ester. Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. 4-Piperidyl cyclopentylphenylglycolate. 4-Piperidyl cyclohexylphenylglycolate. Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Norhydrocodone.

Find more compounds similar to Benzeneacetic acid, 4-nitro-, 2-methyloct-5-yn-4-yl ester.

Sources

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