Chemical Properties of (E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid (CAS 74642-79-8)

InChI

InChI=1S/C15H22O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h5,10-12H,4,6-8H2,1-3H3,(H,16,17)/b9-5+

InChI Key

NZSCHTYUGUVLHG-WEVVVXLNSA-N

Formula

C15H22O2

SMILES

CC(=CCCC1(C)C2CC3C(C2)C31C)C(=O)O

Molecular Weight¹

234.33

CAS

74642-79-8

• 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°	61.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-289.79	kJ/mol	Joback Calculated Property
ΔfusH°	27.34	kJ/mol	Joback Calculated Property
ΔvapH°	68.92	kJ/mol	Joback Calculated Property
log10WS	-3.53		Crippen Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Pc	2306.95	kPa	Joback Calculated Property
Inp	[1847.40; 1847.40]
Inp	1847.40		NIST
Inp	1847.40		NIST
Tboil	695.51	K	Joback Calculated Property
Tc	895.67	K	Joback Calculated Property
Tfus	450.70	K	Joback Calculated Property
Vc	0.762	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[586.97; 677.34]	J/mol×K	[695.51; 895.67]
Cp,gas	586.97	J/mol×K	695.51	Joback Calculated Property
Cp,gas	602.10	J/mol×K	728.87	Joback Calculated Property
Cp,gas	616.87	J/mol×K	762.23	Joback Calculated Property
Cp,gas	631.53	J/mol×K	795.59	Joback Calculated Property
Cp,gas	646.33	J/mol×K	828.95	Joback Calculated Property
Cp,gas	661.52	J/mol×K	862.31	Joback Calculated Property
Cp,gas	677.34	J/mol×K	895.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.