Chemical Properties of 2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid (CAS 825-03-6)

2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid

InChI
InChI=1S/C9H12O2/c1-9(8(10)11)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChI Key
JIHFJSOMLKXSSQ-UHFFFAOYSA-N
Formula
C9H12O2
SMILES
CC1(C(=O)O)CC2C=CC1C2
Molecular Weight1
152.19
CAS
825-03-6
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Physical Properties

Property Value Unit Source
ω 0.5288 Relay (1.0) Calculated Property
ΔfG° -114.68 kJ/mol Joback Calculated Property
ΔfH°gas -355.86 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.92 kJ/mol Joback Calculated Property
ΔvapH° 81.70 kJ/mol Relay (1.0) Calculated Property
IE 9.09 eV Relay (1.0) Calculated Property
log10WS -2.12 Relay (1.0) Calculated Property
logPoct/wat 1.673 Crippen Calculated Property
McVol 119.090 ml/mol McGowan Calculated Property
Pc 3935.71 kPa Joback Calculated Property
Tboil 507.00 K Relay (1.0) Calculated Property
Tc 743.08 K Relay (1.0) Calculated Property
Tfus 375.38 K Relay (1.0) Calculated Property
Vc 0.418 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [307.88; 371.85] J/mol×K [563.85; 770.34] Show Hide
Cp,gas 307.88 J/mol×K 563.85 Joback Calculated Property
Cp,gas 320.28 J/mol×K 598.26 Joback Calculated Property
Cp,gas 331.81 J/mol×K 632.68 Joback Calculated Property
Cp,gas 342.60 J/mol×K 667.09 Joback Calculated Property
Cp,gas 352.78 J/mol×K 701.51 Joback Calculated Property
Cp,gas 362.49 J/mol×K 735.92 Joback Calculated Property
Cp,gas 371.85 J/mol×K 770.34 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 384.00 ± 1.00 K 0.33 NIST

Similar Compounds

endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 2-methyl, methyl ester. exo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 2-methyl, methyl ester. Exo-bicyclo(2.2.1)hept-5-ene-2-carboxylic acid. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. exo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 7,7-cyclopropano-2-methyl, methyl ester. endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 7,7-cyclopropano-2-methyl, methyl ester. Helifolen-12-oic acid (anti,anti,anti). Helifolen-12-oic acid (syn,anti,anti). Helifolen-12-oic acid (anti-syn-syn). Helifolen-12-oic acid (syn,syn,syn). (5S)-5-Methyl-5-hydroxymethylbicyclo[2.2.1]hept-2-ene. (5R)-5-Methyl-5-hydroxymethylbicyclo[2.2.1]hept-2-ene. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, endo-. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, exo-.

Find more compounds similar to 2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid.

Sources

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