Chemical Properties of n-Heptyl acrylate (CAS 2499-58-3)

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3

InChI Key

SCFQUKBBGYTJNC-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

C=CC(=O)OCCCCCCC

Molecular Weight¹

170.25

CAS

2499-58-3

Other Names

• 2-Propenoic acid, heptyl ester
• Acrylic acid, heptyl ester
• ENT 15748
• Heptyl acrylate

• 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 : 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	0.6206		Relay (1.0) Calculated Property
ΔfH°gas	-452.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.74	kJ/mol	Joback Calculated Property
ΔvapH°	57.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.96	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	2.686		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[1173.00; 1173.00]
Inp	1173.00		NIST
Inp	1173.00		NIST
Inp	1173.00		NIST
I	[1489.00; 1495.00]
I	1489.00		NIST
I	1495.00		NIST
I	1489.00		NIST
Tboil	472.18	K	Relay (1.0) Calculated Property
Tc	668.09	K	Relay (1.0) Calculated Property
Tfus	229.90	K	Relay (1.0) Calculated Property
Vc	0.588	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	[224.15; 514.84]	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			1.62160e+01
Coefficient B			8.79020e-01
Coefficient C			-4.48500e-04
Coefficient D			6.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.15	J/mol×K	273.00	Calculated Property
Cp,gas	274.08	J/mol×K	353.78	Calculated Property
Cp,gas	319.09	J/mol×K	434.56	Calculated Property
Cp,gas	359.42	J/mol×K	515.33	Calculated Property
Cp,gas	395.26	J/mol×K	596.11	Calculated Property
Cp,gas	426.84	J/mol×K	676.89	Calculated Property
Cp,gas	454.37	J/mol×K	757.67	Calculated Property
Cp,gas	478.07	J/mol×K	838.44	Calculated Property
Cp,gas	498.16	J/mol×K	919.22	Calculated Property
Cp,gas	514.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053138; 0.0002508]	Pa×s	[243.03; 459.11]	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			-1.17247e+01
Coefficient B			1.57660e+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.			243.03
Temperature range, max.			459.11
η	0.0053138	Pa×s	243.03	Calculated Property
η	0.0029655	Pa×s	267.04	Calculated Property
η	0.0018222	Pa×s	291.05	Calculated Property
η	0.0012059	Pa×s	315.06	Calculated Property
η	0.0008461	Pa×s	339.06	Calculated Property
η	0.0006221	Pa×s	363.07	Calculated Property
η	0.0004752	Pa×s	387.08	Calculated Property
η	0.0003746	Pa×s	411.09	Calculated Property
η	0.0003032	Pa×s	435.10	Calculated Property
η	0.0002508	Pa×s	459.11	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[368.99; 510.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57305e+01
Coefficient B			-4.51965e+03
Coefficient C			-7.63250e+01
Temperature range, min.			368.99
Temperature range, max.			510.11
Pvap	1.33	kPa	368.99	Calculated Property
Pvap	2.92	kPa	384.67	Calculated Property
Pvap	5.94	kPa	400.35	Calculated Property
Pvap	11.31	kPa	416.03	Calculated Property
Pvap	20.35	kPa	431.71	Calculated Property
Pvap	34.82	kPa	447.39	Calculated Property
Pvap	57.06	kPa	463.07	Calculated Property
Pvap	89.97	kPa	478.75	Calculated Property
Pvap	137.09	kPa	494.43	Calculated Property
Pvap	202.64	kPa	510.11	Calculated Property

Similar Compounds

Find more compounds similar to n-Heptyl acrylate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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