Chemical Properties of «beta»-Cyclolavandulyl isobutyrate

InChI

InChI=1S/C14H24O2/c1-10(2)13(15)16-9-12-6-7-14(4,5)8-11(12)3/h10H,6-9H2,1-5H3

InChI Key

MPXQTTNSJUOAST-UHFFFAOYSA-N

Formula

C14H24O2

SMILES

CC1=C(COC(=O)C(C)C)CCC(C)(C)C1

Molecular Weight¹

224.34

• 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.
• I : 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°	-139.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-477.97	kJ/mol	Joback Calculated Property
ΔfusH°	17.26	kJ/mol	Joback Calculated Property
ΔvapH°	56.42	kJ/mol	Joback Calculated Property
log10WS	-3.81		Crippen Calculated Property
logPoct/wat	3.712		Crippen Calculated Property
McVol	200.400	ml/mol	McGowan Calculated Property
Pc	1971.80	kPa	Joback Calculated Property
Inp	[1432.00; 1432.00]
Inp	1432.00		NIST
Inp	1432.00		NIST
I	[1702.00; 1702.00]
I	1702.00		NIST
I	1702.00		NIST
Tboil	624.48	K	Joback Calculated Property
Tc	833.00	K	Joback Calculated Property
Tfus	361.78	K	Joback Calculated Property
Vc	0.754	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.65; 637.28]	J/mol×K	[624.48; 833.00]
Cp,gas	536.65	J/mol×K	624.48	Joback Calculated Property
Cp,gas	555.42	J/mol×K	659.23	Joback Calculated Property
Cp,gas	573.27	J/mol×K	693.99	Joback Calculated Property
Cp,gas	590.29	J/mol×K	728.74	Joback Calculated Property
Cp,gas	606.58	J/mol×K	763.50	Joback Calculated Property
Cp,gas	622.21	J/mol×K	798.25	Joback Calculated Property
Cp,gas	637.28	J/mol×K	833.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Cyclolavandulyl isobutyrate.

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.