Chemical Properties of Valerianol acetate

InChI

InChI=1S/C17H28O2/c1-12-7-6-8-14-9-10-15(11-17(12,14)5)16(3,4)19-13(2)18/h8,12,15H,6-7,9-11H2,1-5H3/t12-,15-,17+/m0/s1

InChI Key

KWFVLNZOTCEVEH-YLQAJVPDSA-N

Formula

C17H28O2

SMILES

CC(=O)OC(C)(C)C1CCC2=CCCC(C)C2(C)C1

Molecular Weight¹

264.40

• 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	0.4516		Relay (... Calculated Property
ΔfG°	-58.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-514.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.64	kJ/mol	Joback Calculated Property
ΔvapH°	79.67	kJ/mol	Relay (... Calculated Property
IE	8.15	eV	Relay (... Calculated Property
log10WS	-4.21		Relay (... Calculated Property
logPoct/wat	4.491		Crippen Calculated Property
McVol	231.810	ml/mol	McGowan Calculated Property
Pc	1747.74	kPa	Joback Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	563.85	K	Relay (... Calculated Property
Tc	796.28	K	Relay (... Calculated Property
Tfus	339.64	K	Relay (... Calculated Property
Vc	0.813	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.68; 813.02]	J/mol×K	[691.69; 916.62]
Cp,gas	693.68	J/mol×K	691.69	Joback Calculated Property
Cp,gas	716.12	J/mol×K	729.18	Joback Calculated Property
Cp,gas	737.32	J/mol×K	766.67	Joback Calculated Property
Cp,gas	757.44	J/mol×K	804.16	Joback Calculated Property
Cp,gas	776.66	J/mol×K	841.65	Joback Calculated Property
Cp,gas	795.13	J/mol×K	879.14	Joback Calculated Property
Cp,gas	813.02	J/mol×K	916.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Valerianol acetate.

Sources

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

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