Chemical Properties of cis-Chrysanthenyl butanoate

InChI

InChI=1S/C14H22O2/c1-5-6-11(15)16-13-10-8-7-9(2)12(13)14(10,3)4/h7,10,12-13H,5-6,8H2,1-4H3/t10-,12+,13?/m0/s1

InChI Key

HGTWZXWLAFIIDA-LQNXFFKNSA-N

Formula

C14H22O2

SMILES

CCCC(=O)OC1C2CC=C(C)C1C2(C)C

Molecular Weight¹

222.32

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4829		Relay (... Calculated Property
ΔfG°	-58.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.87	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.65	kJ/mol	Joback Calculated Property
ΔvapH°	70.78	kJ/mol	Relay (... Calculated Property
IE	8.55	eV	Relay (... Calculated Property
log10WS	-3.76		Relay (... Calculated Property
logPoct/wat	3.320		Crippen Calculated Property
McVol	189.540	ml/mol	McGowan Calculated Property
Pc	2009.10	kPa	Joback Calculated Property
Inp	[1440.00; 1440.00]
Inp	1440.00		NIST
Inp	1440.00		NIST
Tboil	522.04	K	Relay (... Calculated Property
Tc	761.72	K	Relay (... Calculated Property
Tfus	283.83	K	Relay (... Calculated Property
Vc	0.656	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.33; 619.56]	J/mol×K	[608.80; 812.71]
Cp,gas	521.33	J/mol×K	608.80	Joback Calculated Property
Cp,gas	539.72	J/mol×K	642.78	Joback Calculated Property
Cp,gas	557.16	J/mol×K	676.77	Joback Calculated Property
Cp,gas	573.75	J/mol×K	710.75	Joback Calculated Property
Cp,gas	589.61	J/mol×K	744.74	Joback Calculated Property
Cp,gas	604.84	J/mol×K	778.72	Joback Calculated Property
Cp,gas	619.56	J/mol×K	812.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Chrysanthenyl butanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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