Chemical Properties of Nitric acid, octyl ester (CAS 629-39-0)

InChI

InChI=1S/C8H17NO3/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3

InChI Key

TXQBMQNFXYOIPT-UHFFFAOYSA-N

Formula

C8H17NO3

SMILES

CCCCCCCCO[N+](=O)[O-]

Molecular Weight¹

175.23

CAS

629-39-0

Other Names

• 1-Octyl nitrate
• Octyl nitrate
• n-Octyl nitrate

• ω : Acentric Factor.
• 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).
• 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.
• 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	0.6683		Relay (1.0) Calculated Property
ΔfG°	-52.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-302.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.03	kJ/mol	Joback Calculated Property
ΔvapH°	61.33	kJ/mol	Relay (1.0) Calculated Property
IE	10.53	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	2.555		Crippen Calculated Property
McVol	146.870	ml/mol	McGowan Calculated Property
Pc	2522.65	kPa	Joback Calculated Property
Inp	[1208.00; 1208.00]
Inp	1208.00		NIST
Inp	1208.00		NIST
Tboil	481.07	K	Relay (1.0) Calculated Property
Tc	664.70	K	Relay (1.0) Calculated Property
Tfus	224.35	K	Relay (1.0) Calculated Property
Vc	0.563	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.01; 434.64]	J/mol×K	[556.70; 751.43]
Cp,gas	363.01	J/mol×K	556.70	Joback Calculated Property
Cp,gas	376.46	J/mol×K	589.16	Joback Calculated Property
Cp,gas	389.28	J/mol×K	621.61	Joback Calculated Property
Cp,gas	401.51	J/mol×K	654.07	Joback Calculated Property
Cp,gas	413.13	J/mol×K	686.52	Joback Calculated Property
Cp,gas	424.17	J/mol×K	718.98	Joback Calculated Property
Cp,gas	434.64	J/mol×K	751.43	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[351.00; 525.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.33370e+01
Coefficient B			-3.64327e+03
Coefficient C			-7.18100e+01
Temperature range, min.			351.00
Temperature range, max.			525.77
Pvap	1.33	kPa	351.00	Calculated Property
Pvap	3.11	kPa	370.42	Calculated Property
Pvap	6.56	kPa	389.84	Calculated Property
Pvap	12.69	kPa	409.26	Calculated Property
Pvap	22.83	kPa	428.68	Calculated Property
Pvap	38.66	kPa	448.09	Calculated Property
Pvap	62.18	kPa	467.51	Calculated Property
Pvap	95.65	kPa	486.93	Calculated Property
Pvap	141.58	kPa	506.35	Calculated Property
Pvap	202.65	kPa	525.77	Calculated Property

Similar Compounds

Find more compounds similar to Nitric acid, octyl ester.

Sources

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

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.