Chemical Properties of Perillic acid (CAS 7694-45-3)

InChI

InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)

InChI Key

CDSMSBUVCWHORP-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

C=C(C)C1CC=C(C(=O)O)CC1

Molecular Weight¹

166.22

CAS

7694-45-3

Other Names

• 4-isopropenylcyclohex-1-enecarboxylic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-108.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-298.27	kJ/mol	Joback Calculated Property
ΔfusH°	17.42	kJ/mol	Joback Calculated Property
ΔvapH°	62.07	kJ/mol	Joback Calculated Property
log10WS	-2.47		Crippen Calculated Property
logPoct/wat	2.374		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	3265.31	kPa	Joback Calculated Property
Inp	[1467.00; 1500.00]
Inp	1467.00		NIST
Inp	1500.00		NIST
Inp	1467.00		NIST
Tboil	594.50	K	Joback Calculated Property
Tc	798.35	K	Joback Calculated Property
Tfus	318.15	K	Joback Calculated Property
Vc	0.521	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.00; 419.23]	J/mol×K	[594.50; 798.35]
Cp,gas	350.00	J/mol×K	594.50	Joback Calculated Property
Cp,gas	363.40	J/mol×K	628.48	Joback Calculated Property
Cp,gas	376.02	J/mol×K	662.45	Joback Calculated Property
Cp,gas	387.89	J/mol×K	696.43	Joback Calculated Property
Cp,gas	399.02	J/mol×K	730.40	Joback Calculated Property
Cp,gas	409.46	J/mol×K	764.38	Joback Calculated Property
Cp,gas	419.23	J/mol×K	798.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perillic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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