Chemical Properties of Nonyl acrylate (CAS 2664-55-3)

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h4H,2-3,5-11H2,1H3

InChI Key

MDYPDLBFDATSCF-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=CC(=O)OCCCCCCCCC

Molecular Weight¹

198.30

CAS

2664-55-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.6948		Relay (1.0) Calculated Property
ΔfH°gas	-494.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	66.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1373.00; 1374.00]
Inp	1373.00		NIST
Inp	1374.00		NIST
I	[1689.00; 1695.00]
I	1689.00		NIST
I	1695.00		NIST
Tboil	507.81	K	Relay (1.0) Calculated Property
Tc	699.12	K	Relay (1.0) Calculated Property
Tfus	[236.50; 236.50]	K
Tfus	236.50	K	NIST
Tfus	236.50 ± 0.10	K	NIST
Vc	0.701	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	[437.59; 520.75]	J/mol×K	[529.06; 699.05]
Cp,gas	437.59	J/mol×K	529.06	Joback Calculated Property
Cp,gas	453.03	J/mol×K	557.39	Joback Calculated Property
Cp,gas	467.82	J/mol×K	585.72	Joback Calculated Property
Cp,gas	481.98	J/mol×K	614.05	Joback Calculated Property
Cp,gas	495.51	J/mol×K	642.38	Joback Calculated Property
Cp,gas	508.43	J/mol×K	670.72	Joback Calculated Property
Cp,gas	520.75	J/mol×K	699.05	Joback Calculated Property
Cp,liquid	417.90	J/mol×K	298.15	NIST
η	[0.0001779; 0.0048712]	Pa×s	[265.57; 529.06]
η	0.0048712	Pa×s	265.57	Joback Calculated Property
η	0.0018971	Pa×s	309.49	Joback Calculated Property
η	0.0009340	Pa×s	353.40	Joback Calculated Property
η	0.0005378	Pa×s	397.31	Joback Calculated Property
η	0.0003456	Pa×s	441.23	Joback Calculated Property
η	0.0002406	Pa×s	485.14	Joback Calculated Property
η	0.0001779	Pa×s	529.06	Joback Calculated Property
ΔfusH	[23.36; 23.36]	kJ/mol	[236.50; 236.50]
ΔfusH	23.36	kJ/mol	236.50	NIST
ΔfusH	23.36	kJ/mol	236.50	NIST
ΔfusH	23.36	kJ/mol	236.50	NIST
ΔfusS	98.80	J/mol×K	236.50	NIST

Similar Compounds

Find more compounds similar to Nonyl acrylate.

Sources

• Cheméo Relay (1.0)
• 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.
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