Chemical Properties of Ethyl nerolate

InChI

InChI=1S/C10H20O2/c1-8(2)5-4-6-9(3)7-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)

InChI Key

DGGBNSXAFVNQJU-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CC(C)CCCC(C)CC(=O)O

Molecular Weight¹

172.27

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7401		Relay (1.0) Calculated Property
ΔfH°gas	-635.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.30	kJ/mol	Joback Calculated Property
ΔvapH°	83.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	2.924		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2482.59	kPa	Joback Calculated Property
Inp	[1359.00; 1359.00]
Inp	1359.00		NIST
Inp	1359.00		NIST
I	2123.00		NIST
Tboil	508.88	K	Relay (1.0) Calculated Property
Tc	692.18	K	Relay (1.0) Calculated Property
Tfus	278.34	K	Relay (1.0) Calculated Property
Vc	0.564	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.51; 473.04]	J/mol×K	[573.37; 746.05]
Cp,gas	403.51	J/mol×K	573.37	Joback Calculated Property
Cp,gas	416.47	J/mol×K	602.15	Joback Calculated Property
Cp,gas	428.87	J/mol×K	630.93	Joback Calculated Property
Cp,gas	440.70	J/mol×K	659.71	Joback Calculated Property
Cp,gas	452.00	J/mol×K	688.49	Joback Calculated Property
Cp,gas	462.78	J/mol×K	717.27	Joback Calculated Property
Cp,gas	473.04	J/mol×K	746.05	Joback Calculated Property
η	[0.0000919; 0.0330442]	Pa×s	[283.21; 573.37]
η	0.0330442	Pa×s	283.21	Joback Calculated Property
η	0.0060601	Pa×s	331.57	Joback Calculated Property
η	0.0017116	Pa×s	379.93	Joback Calculated Property
η	0.0006431	Pa×s	428.29	Joback Calculated Property
η	0.0002948	Pa×s	476.65	Joback Calculated Property
η	0.0001560	Pa×s	525.01	Joback Calculated Property
η	0.0000919	Pa×s	573.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl nerolate.

Sources

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

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