Chemical Properties of Citronellol, carbamate

InChI

InChI=1S/C11H21NO2/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,10H,4,6-8H2,1-3H3,(H2,12,13)/t10-/m0/s1

InChI Key

PIYCXVKTSFJWDD-JTQLQIEISA-N

Formula

C11H21NO2

SMILES

CC(C)=CCCC(C)CCOC(N)=O

Molecular Weight¹

199.29

• 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.
• 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°	-56.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-379.23	kJ/mol	Joback Calculated Property
ΔfusH°	27.60	kJ/mol	Joback Calculated Property
ΔvapH°	59.53	kJ/mol	Joback Calculated Property
log10WS	-3.31		Crippen Calculated Property
logPoct/wat	2.854		Crippen Calculated Property
McVol	178.970	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	[1518.00; 1518.00]
Inp	1518.00		NIST
Inp	1518.00		NIST
Tboil	603.50	K	Joback Calculated Property
Tc	797.20	K	Joback Calculated Property
Tfus	335.11	K	Joback Calculated Property
Vc	0.679	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[462.59; 541.51]	J/mol×K	[603.50; 797.20]
Cp,gas	462.59	J/mol×K	603.50	Joback Calculated Property
Cp,gas	477.53	J/mol×K	635.78	Joback Calculated Property
Cp,gas	491.72	J/mol×K	668.07	Joback Calculated Property
Cp,gas	505.19	J/mol×K	700.35	Joback Calculated Property
Cp,gas	517.96	J/mol×K	732.63	Joback Calculated Property
Cp,gas	530.06	J/mol×K	764.92	Joback Calculated Property
Cp,gas	541.51	J/mol×K	797.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Citronellol, carbamate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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