Chemical Properties of n-Propyl acrylate (CAS 925-60-0)

InChI

InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3

InChI Key

PNXMTCDJUBJHQJ-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

C=CC(=O)OCCC

Molecular Weight¹

114.14

CAS

925-60-0

Other Names

• 1-Propyl acrylate
• 2-Propenoic acid, propyl ester
• Acrylic acid, propyl ester
• Propyl 2-propenoate
• Propylacrylate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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	0.4475		Relay (1.0) Calculated Property
ΔfH°gas	-364.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.38	kJ/mol	Joback Calculated Property
ΔvapH°	40.53	kJ/mol	Relay (1.0) Calculated Property
IE	10.22	eV	Relay (1.0) Calculated Property
log10WS	-1.28		Relay (1.0) Calculated Property
logPoct/wat	1.126		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[748.00; 783.00]
Inp	775.00		NIST
Inp	777.00		NIST
Inp	779.00		NIST
Inp	Outlier 748.00		NIST
Inp	757.00		NIST
Inp	783.00		NIST
Inp	775.00		NIST
Inp	783.00		NIST
Ip	[1074.00; 1080.00]
Ip	1078.00		NIST
Ip	1080.00		NIST
Ip	1074.00		NIST
Ip	1078.00		NIST
Tboil	394.14	K	Relay (1.0) Calculated Property
Tc	581.10	K	Relay (1.0) Calculated Property
Tfus	196.92	K	Relay (1.0) Calculated Property
Vc	0.370	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.29; 308.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.98520e+01
Coefficient B			4.99020e-01
Coefficient C			-2.30900e-04
Coefficient D			2.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.29	J/mol×K	273.00	Calculated Property
Cp,gas	168.40	J/mol×K	353.78	Calculated Property
Cp,gas	194.78	J/mol×K	434.56	Calculated Property
Cp,gas	218.50	J/mol×K	515.33	Calculated Property
Cp,gas	239.62	J/mol×K	596.11	Calculated Property
Cp,gas	258.20	J/mol×K	676.89	Calculated Property
Cp,gas	274.31	J/mol×K	757.67	Calculated Property
Cp,gas	288.02	J/mol×K	838.44	Calculated Property
Cp,gas	299.38	J/mol×K	919.22	Calculated Property
Cp,gas	308.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051611; 0.0002445]	Pa×s	[197.95; 398.37]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.13285e+01
Coefficient B			1.19996e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			197.95
Temperature range, max.			398.37
η	0.0051611	Pa×s	197.95	Calculated Property
η	0.0027959	Pa×s	220.22	Calculated Property
η	0.0016952	Pa×s	242.49	Calculated Property
η	0.0011180	Pa×s	264.76	Calculated Property
η	0.0007866	Pa×s	287.02	Calculated Property
η	0.0005821	Pa×s	309.29	Calculated Property
η	0.0004486	Pa×s	331.56	Calculated Property
η	0.0003572	Pa×s	353.83	Calculated Property
η	0.0002922	Pa×s	376.10	Calculated Property
η	0.0002445	Pa×s	398.37	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.38; 3216.91]	kPa	[273.15; 569.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.50295e+01
Coefficient B			-7.91265e+03
Coefficient C			-1.02435e+01
Coefficient D			5.98168e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.15
Temperature range, max.			569.00
Pvap	0.38	kPa	273.15	Calculated Property
Pvap	3.01	kPa	306.02	Calculated Property
Pvap	14.77	kPa	338.89	Calculated Property
Pvap	51.85	kPa	371.77	Calculated Property
Pvap	142.91	kPa	404.64	Calculated Property
Pvap	329.29	kPa	437.51	Calculated Property
Pvap	663.32	kPa	470.38	Calculated Property
Pvap	1206.57	kPa	503.26	Calculated Property
Pvap	2030.01	kPa	536.13	Calculated Property
Pvap	3216.91	kPa	569.00	Calculated Property

Similar Compounds

Find more compounds similar to n-Propyl acrylate.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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