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_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_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
ΔfG°	-95.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.34	kJ/mol	Joback Calculated Property
ΔvapH°	65.15	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	1920.30	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	694.65	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	0.697	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.34; 526.24]	J/mol×K	[546.93; 719.58]
Cp,gas	444.34	J/mol×K	546.93	Joback Calculated Property
Cp,gas	459.51	J/mol×K	575.71	Joback Calculated Property
Cp,gas	474.05	J/mol×K	604.48	Joback Calculated Property
Cp,gas	487.98	J/mol×K	633.26	Joback Calculated Property
Cp,gas	501.31	J/mol×K	662.03	Joback Calculated Property
Cp,gas	514.06	J/mol×K	690.81	Joback Calculated Property
Cp,gas	526.24	J/mol×K	719.58	Joback Calculated Property
Cp,liquid	417.90	J/mol×K	298.15	NIST
η	[0.0001931; 0.0029144]	Pa×s	[295.40; 546.93]
η	0.0029144	Pa×s	295.40	Joback Calculated Property
η	0.0013996	Pa×s	337.32	Joback Calculated Property
η	0.0007904	Pa×s	379.24	Joback Calculated Property
η	0.0005002	Pa×s	421.17	Joback Calculated Property
η	0.0003439	Pa×s	463.09	Joback Calculated Property
η	0.0002516	Pa×s	505.01	Joback Calculated Property
η	0.0001931	Pa×s	546.93	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

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