Chemical Properties of «beta»-Cyclolavandulyl isovalerate

InChI

InChI=1S/C15H26O2/c1-11(2)8-14(16)17-10-13-6-7-15(4,5)9-12(13)3/h11H,6-10H2,1-5H3

InChI Key

DCWWZLVSQIFSJP-UHFFFAOYSA-N

Formula

C15H26O2

SMILES

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

Molecular Weight¹

238.37

• 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.
• 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
ω	0.5277		Relay (1.0) Calculated Property
ΔfG°	-131.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-503.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.85	kJ/mol	Joback Calculated Property
ΔvapH°	66.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-3.84		Relay (1.0) Calculated Property
logPoct/wat	4.102		Crippen Calculated Property
McVol	214.490	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
I	1815.00		NIST
Tboil	516.55	K	Relay (1.0) Calculated Property
Tc	730.18	K	Relay (1.0) Calculated Property
Tfus	260.98	K	Relay (1.0) Calculated Property
Vc	0.767	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.13; 693.57]	J/mol×K	[647.36; 852.79]
Cp,gas	590.13	J/mol×K	647.36	Joback Calculated Property
Cp,gas	609.34	J/mol×K	681.60	Joback Calculated Property
Cp,gas	627.65	J/mol×K	715.84	Joback Calculated Property
Cp,gas	645.14	J/mol×K	750.07	Joback Calculated Property
Cp,gas	661.89	J/mol×K	784.31	Joback Calculated Property
Cp,gas	678.01	J/mol×K	818.55	Joback Calculated Property
Cp,gas	693.57	J/mol×K	852.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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